67230157
  -OEChem-05072404052D

 34 36  0     1  0  0  0  0  0999 V2000
    5.5321   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 31  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  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  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67230157

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
401

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAACAAADAjhmAYywIMAAgCoAyVyVACCAAAhAgAIiAEodJgIcLLAlZGUIAhghgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1-hydroxyethyl)-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(1-hydroxyethyl)-3-phenyl-2-quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(1-hydroxyethyl)-3-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
1-(1-hydroxyethyl)-3-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(1-hydroxyethyl)-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1-hydroxyethyl)-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O2/c1-11(19)18-14-10-6-5-9-13(14)17-15(16(18)20)12-7-3-2-4-8-12/h2-11,19H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
SPRDJHIXTSLRDC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
266.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(N1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(N1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3)O

> <PUBCHEM_CACTVS_TPSA>
52.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
6  1  3
10  14  8
11  16  8
11  17  8
13  15  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
3  5  8
3  8  8
4  7  8
4  9  8
5  10  8
5  7  8
7  13  8
8  9  8

$$$$