5380573
  -OEChem-04162407552D

 18 19  0     0  0  0  0  0  0999 V2000
    2.9230    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    1.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    2.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5380573

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
337

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAAAAAAAAHgAYAAAADASBgAYAAABiBACoAqBTQAAQCAAgIAAICAEAAEkIAAAAAQAAAAAAgAAIgcIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6Z)-6-(3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
(6Z)-6-(3H-1,3,4-oxadiazol-2-ylidene)-1-cyclohexa-2,4-dienone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6<I>Z</I>)-6-(3<I>H</I>-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_NAME>
(6Z)-6-(3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6Z)-6-(3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6Z)-6-(3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,10H/b8-6-

> <PUBCHEM_IUPAC_INCHIKEY>
HKVNQGYCUGIYTA-VURMDHGXSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
162.042927438

> <PUBCHEM_MOLECULAR_FORMULA>
C8H6N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
162.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C2NN=CO2)C(=O)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C/C(=C/2\NN=CO2)/C(=O)C=C1

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
162.042927438

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

$$$$