Mrv0541 02231215582D          

  4  3  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 N   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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
> <DATABASE_ID>
DB02108

> <DATABASE_NAME>
drugbank

> <SMILES>
NCC=N

> <INCHI_IDENTIFIER>
InChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2

> <INCHI_KEY>
InChIKey=AXQVKDQRBAXYBP-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
6.285312202496909

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
58.053098202

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C2H6N2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-iminoethan-1-amine

> <ALOGPS_LOGP>
-2.14

> <JCHEM_LOGP>
-1.293430296

> <ALOGPS_LOGS>
-0.71

> <JCHEM_MASS>
58.0824

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.133718361676992

> <JCHEM_POLAR_SURFACE_AREA>
49.870000000000005

> <JCHEM_REFRACTIVITY>
27.549999999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethanimidic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02108

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
2-Aminoethanimidic Acid

$$$$