6102690
  -OEChem-10101305032D

 30 32  0     0  0  0  0  0  0999 V2000
    8.6155   -2.2673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -1.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    1.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688    0.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -0.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6102690

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4MAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGgIACAAADAaAmCAwBsAAAgCAAiBCAAACAAAgJEAIiAAGC4gIJiKDExKAcAAkwBEImAeAwPAO4AADIAARCADAAAZAACIQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-chloro-6-(4-hydroxyphenyl)-2-naphthalenol

> <PUBCHEM_IUPAC_NAME>
1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-chloranyl-6-(4-hydroxyphenyl)naphthalen-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-chloro-6-(4-hydroxyphenyl)-2-naphthol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11ClO2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10/h1-9,18-19H

> <PUBCHEM_IUPAC_INCHIKEY>
YHEHVRSGKUYDON-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
270.044757

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11ClO2

> <PUBCHEM_MOLECULAR_WEIGHT>
270.71034

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC3=C(C=C2)C(=C(C=C3)O)Cl)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC3=C(C=C2)C(=C(C=C3)O)Cl)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.044757

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
11  14  8
12  13  8
13  14  8
15  17  8
16  18  8
17  19  8
18  19  8
4  11  8
4  6  8
4  7  8
5  7  8
5  9  8
6  10  8
6  12  8
8  15  8
8  16  8
9  10  8

$$$$