69932850
  -OEChem-04262421112D

 23 24  0     0  0  0  0  0  0999 V2000
    2.0000   -0.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.3530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.4223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.1949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  2  0  0  0  0
  3  8  1  0  0  0  0
  3 14  2  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69932850

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
219

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAQAAAADAjBngQ8wLJIEACoAzV3VACCgCQxEiAI2CE4dJgIYPLAlZGUIAhgkADIyAcciYCeAAAAQAACACAAAACAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-quinoxalin-5-ylacetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-quinoxalinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-quinoxalin-5-ylacetamide

> <PUBCHEM_IUPAC_NAME>
2-quinoxalin-5-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-quinoxalin-5-ylethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-quinoxalin-5-ylacetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9N3O/c11-9(14)6-7-2-1-3-8-10(7)13-5-4-12-8/h1-5H,6H2,(H2,11,14)

> <PUBCHEM_IUPAC_INCHIKEY>
AJYAGCQANRNGJY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
187.074561919

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
187.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C2C(=C1)N=CC=N2)CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C2C(=C1)N=CC=N2)CC(=O)N

> <PUBCHEM_CACTVS_TPSA>
68.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
187.074561919

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  11  8
13  14  8
2  13  8
2  6  8
3  14  8
3  8  8
5  6  8
5  9  8
6  8  8
8  10  8
9  11  8

$$$$