54708959
  -OEChem-05122401102D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000    0.5841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54708959

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
401

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgIQCAAADA6BmCAwwILAAgCIAiVSUACCAAAhJwAIiAEAbsgIJjLBl5GEcAhm1AHI2QeYyKCOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-4-hydroxy-3-phenyl-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
6-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-4-oxidanyl-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-4-hydroxy-3-phenyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)14(18)13(15(19)17-12)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
LTEXAOXVPRQIQP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
271.0400063

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10ClNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
271.70

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.0400063

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$