Mrv2304 12122306012D          

  4  3  0  0  0  0            999 V2000
    0.2062   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  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>
AXQVKDQRBAXYBP-UHFFFAOYSA-N

> <FORMULA>
C2H6N2

> <MOLECULAR_WEIGHT>
58.084

> <EXACT_MASS>
58.053098201

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.9999988660128118

> <JCHEM_AVERAGE_POLARIZABILITY>
6.283208482870056

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-iminoethan-1-amine

> <JCHEM_LOGP>
-1.293430296

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.133718361676992

> <JCHEM_POLAR_SURFACE_AREA>
49.870000000000005

> <JCHEM_REFRACTIVITY>
27.55

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethanimidic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02108

> <SECONDARY_ACCESSION_NUMBERS>
EXPT00447

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
2-Aminoethanimidic Acid

> <SYNONYMS>
2-aminoethylimine

$$$$