25108103
  -OEChem-10191521592D

 36 38  0     1  0  0  0  0  0999 V2000
    4.2120   -2.6844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    2.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    2.7694    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    1.9034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4030    1.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939   -2.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -3.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -3.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2953    1.2928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856    1.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856    3.8475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2953    4.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106    4.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204    3.8475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    2.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5230    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.7134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.9066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -2.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385   -4.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2674   -4.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25108103

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
307

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMABAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAAABwAAAHgQACAAADATl2AayCYMABgiEAiBCAAADAIAgCBBIiBgICIgaJiKgsRmHcAAkwAG8uAeQwPAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methyl-2-[4-(2-thienyl)phenyl]morpholin-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-2-(4-thiophen-2-ylphenyl)-2-morpholinol

> <PUBCHEM_IUPAC_NAME>
4-methyl-2-(4-thiophen-2-ylphenyl)morpholin-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-2-(4-thiophen-2-ylphenyl)morpholin-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methyl-2-[4-(2-thienyl)phenyl]morpholin-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17NO2S/c1-16-8-9-18-15(17,11-16)13-6-4-12(5-7-13)14-3-2-10-19-14/h2-7,10,17H,8-9,11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KXFMAIULBLABNA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
275.098

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17NO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
275.36598

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCOC(C1)(C2=CC=C(C=C2)C3=CC=CS3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCOC(C1)(C2=CC=C(C=C2)C3=CC=CS3)O

> <PUBCHEM_CACTVS_TPSA>
60.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
275.098

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  16  8
1  19  8
11  14  8
12  15  8
13  14  8
13  15  8
16  17  8
17  18  8
18  19  8
5  3  3
9  11  8
9  12  8

$$$$