149686
  -OEChem-05241319282D

 21 22  0     1  0  0  0  0  0999 V2000
    3.2320    2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332    1.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    3.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
149686

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAEgAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACByhkAIwwILABACIACVSUAKCAAAhAgAIiAFAZIgKICbAkZWFIAhitADYyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-phenyloxirane-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-phenyl-2-oxiranecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-phenyloxirane-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-phenyloxirane-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-phenyloxirane-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H9NO2/c11-9(8-6-12-8)10-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
SVTVTMBNDSAORT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
163.063329

> <PUBCHEM_MOLECULAR_FORMULA>
C9H9NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
163.17326

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(O1)C(=O)NC2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(O1)C(=O)NC2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
41.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
163.063329

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
4  6  3
7  8  8
7  9  8
8  10  8
9  11  8

$$$$