54705818
  -OEChem-05122418342D

 38 40  0     0  0  0  0  0  0999 V2000
    6.3301    1.8450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 38  1  0  0  0  0
  3  8  2  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 28  1  0  0  0  0
 17 24  1  0  0  0  0
 18 22  2  0  0  0  0
 18 29  1  0  0  0  0
 19 22  1  0  0  0  0
 19 30  1  0  0  0  0
 20 23  2  0  0  0  0
 20 31  1  0  0  0  0
 21 23  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54705818

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
596

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHgIACAAADA6BmAAywIMAAgCIAqVSUACCAAAhIgAIiAEAZcgIJDrIkZGEMAhghADI2QcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-acetyl-5-chloro-4-hydroxy-1,6-diphenyl-pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-acetyl-5-chloro-4-hydroxy-1,6-diphenyl-2-pyridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-acetyl-5-chloro-4-hydroxy-1,6-diphenylpyridin-2-one

> <PUBCHEM_IUPAC_NAME>
3-acetyl-5-chloro-4-hydroxy-1,6-diphenylpyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-ethanoyl-4-oxidanyl-1,6-diphenyl-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-acetyl-5-chloro-4-hydroxy-1,6-diphenyl-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14ClNO3/c1-12(22)15-18(23)16(20)17(13-8-4-2-5-9-13)21(19(15)24)14-10-6-3-7-11-14/h2-11,23H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
IRNJPIAJXBQCGW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
339.0662210

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14ClNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
339.8

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

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

> <PUBCHEM_CACTVS_TPSA>
57.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.0662210

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
13  18  8
14  19  8
15  20  8
16  21  8
18  22  8
19  22  8
20  23  8
21  23  8
5  6  8
5  8  8
6  11  8
7  13  8
7  14  8
8  10  8
9  15  8
9  16  8

$$$$