Mrv1572004221604222D          

  8  7  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017931

> <DATABASE_NAME>
chemdb

> <SMILES>
C\C(=N/O)\C(\C)=N\O

> <INCHI_IDENTIFIER>
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3/b5-3+,6-4+

> <INCHI_KEY>
JGUQDUKBUKFFRO-GGWOSOGESA-N

> <FORMULA>
C4H8N2O2

> <MOLECULAR_WEIGHT>
116.12

> <EXACT_MASS>
116.058577506

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.371766781518916

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(E)-N-[(3E)-3-(hydroxyimino)butan-2-ylidene]hydroxylamine

> <ALOGPS_LOGP>
0.02

> <JCHEM_LOGP>
0.414459048

> <ALOGPS_LOGS>
-1.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.968731618598444

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.886532658062935

> <JCHEM_PKA_STRONGEST_BASIC>
1.1102504214085074

> <JCHEM_POLAR_SURFACE_AREA>
65.18

> <JCHEM_REFRACTIVITY>
29.184199999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylglyoxime

> <JCHEM_VEBER_RULE>
0

> <NAME>
Dimethylglyoxime

> <CAS>
95-45-4

> <SYNONYMS>
N-[3-(hydroxyimino)butan-2-ylidene]hydroxylamine

$$$$