Mrv1572004191603332D          

  6  5  0  0  0  0            999 V2000
    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
    0.8250    1.4289    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 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
  4  1  2  0  0  0  0
  4  2  1  4  0  0  0
  5  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012484

> <DATABASE_NAME>
chemdb

> <SMILES>
NNC(O)=NN

> <INCHI_IDENTIFIER>
InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)

> <INCHI_KEY>
XEVRDFDBXJMZFG-UHFFFAOYSA-N

> <FORMULA>
CH6N4O

> <MOLECULAR_WEIGHT>
90.086

> <EXACT_MASS>
90.054160829

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
7.837035700637937

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,N'-diaminocarbamimidic acid

> <ALOGPS_LOGP>
-1.51

> <JCHEM_LOGP>
-1.9574506052111889

> <ALOGPS_LOGS>
-0.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.135440858333983

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.997351959654205

> <JCHEM_PKA_STRONGEST_BASIC>
6.674284653461374

> <JCHEM_POLAR_SURFACE_AREA>
96.66000000000001

> <JCHEM_REFRACTIVITY>
33.2474

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.95e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbohydrazide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Carbonic dihydrazide

> <CAS>
497-18-7

> <SYNONYMS>
carbonohydrazide

$$$$