4471892
  -OEChem-12122301013D

 10  9  0     0  0  0  0  0  0999 V2000
    1.6786    0.3927   -0.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    0.1432   -0.2757 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6211   -0.6048   -0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139    0.0688    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540   -1.0151   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814   -1.4152    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5924    0.4920    1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4563    1.1191   -0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5437   -0.0386   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4149    0.6327    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
DB02108

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AXQVKDQRBAXYBP-UHFFFAOYSA-N/SDF?record_type=3d

> <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

$$$$