6335338
  -OEChem-04252407482D

 33 35  0     0  0  0  0  0  0999 V2000
    2.0000    1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 16  1  0  0  0  0
  2 33  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6335338

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADAzBmAQwxoLAAgCIAqRWQACCAAAhIgAIiIEPbMgKJjLSlZOEcAhk0BFY2ceYyICOgAAAAAAQEAAAAAAAACAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1Z)-1-[(2-hydroxyanilino)methylene]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1Z)-1-[(2-hydroxyanilino)methylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>Z</I>)-1-[(2-hydroxyanilino)methylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
(1Z)-1-[(2-hydroxyanilino)methylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1Z)-1-[[(2-hydroxyphenyl)amino]methylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-[(2-hydroxyanilino)methylene]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13NO2/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20/h1-11,18,20H/b14-11-

> <PUBCHEM_IUPAC_INCHIKEY>
NADCEWZYITXLKJ-KAMYIIQDSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
263.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
263.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC(=O)C2=CNC3=CC=CC=C3O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NC3=CC=CC=C3O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.094628657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
11  15  8
13  16  8
13  17  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
4  6  8
4  8  8
6  11  8
8  14  8

$$$$