172267
  -OEChem-10101305022D

 43 44  0     1  0  0  0  0  0999 V2000
    8.0785   -2.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0746    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -2.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -2.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.3177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.2583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -1.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6118   -2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 18  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 37  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
172267

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
237

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAHgAACAAADCzBmAQyBoMAAgCAAiBCAAACAAAgIAAIiAAOCIgIJiKCkROEcAAkwBGImAeQ0LMOgAABAAAYAAAQAAKAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(dipropylamino)tetralin-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(dipropylamino)tetralin-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MDBWEQVKJDMEMK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
247.193614

> <PUBCHEM_MOLECULAR_FORMULA>
C16H25NO

> <PUBCHEM_MOLECULAR_WEIGHT>
247.3758

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CCC)C1CCC2=C(C1)C=CC=C2O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CCC)C1CCC2=C(C1)C=CC=C2O

> <PUBCHEM_CACTVS_TPSA>
23.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.193614

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
9

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
14  16  8
15  16  8
3  2  3
7  13  8
7  8  8
8  14  8

$$$$