69742962
  -OEChem-04262403592D

 32 34  0     0  0  0  0  0  0999 V2000
    6.2619   -0.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    2.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -3.0260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -2.2441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -0.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    2.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    2.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279    0.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    3.0260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    1.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  3  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69742962

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
396

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgAACAAADAyBmAQywIMAAgCIAiVSUACCAAAhIgAIiAEIbMgIJjLAlZGEcAhkxgHI2QecyKCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[hydroxy(phenyl)methylene]-1-methyl-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[hydroxy(phenyl)methylidene]-1-methyl-2-indolone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[hydroxy(phenyl)methylidene]-1-methylindol-2-one

> <PUBCHEM_IUPAC_NAME>
3-[hydroxy(phenyl)methylidene]-1-methylindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-3-[oxidanyl(phenyl)methylidene]indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[hydroxy(phenyl)methylene]-1-methyl-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)14(16(17)19)15(18)11-7-3-2-4-8-11/h2-10,18H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FOPASVGIZAQTIU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
251.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
251.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2C(=C(C3=CC=CC=C3)O)C1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2C(=C(C3=CC=CC=C3)O)C1=O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
251.094628657

> <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>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
12  15  8
12  16  8
13  14  8
15  17  8
16  18  8
17  19  8
18  19  8
4  5  8
4  9  8
5  10  8
6  8  1
9  13  8

$$$$