Mrv1572004221603042D          

  6  5  0  0  0  0            999 V2000
    2.0625    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
   -0.4125   -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
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  2  0  0  0  0
  4  3  1  4  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016346

> <DATABASE_NAME>
chemdb

> <SMILES>
COC(O)=NN

> <INCHI_IDENTIFIER>
InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)

> <INCHI_KEY>
WFJRIDQGVSJLLH-UHFFFAOYSA-N

> <FORMULA>
C2H6N2O2

> <MOLECULAR_WEIGHT>
90.082

> <EXACT_MASS>
90.042927441

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
7.991195544162527

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methoxycarbohydrazonic acid

> <ALOGPS_LOGP>
-0.98

> <JCHEM_LOGP>
0.07906457533333328

> <ALOGPS_LOGS>
-0.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.129548102312804

> <JCHEM_PKA_STRONGEST_BASIC>
0.9558115985848856

> <JCHEM_POLAR_SURFACE_AREA>
67.84

> <JCHEM_REFRACTIVITY>
21.3642

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.50e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methoxycarbohydrazonic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Methyl carbazate

> <CAS>
6294-89-9

$$$$