Mrv0541 02231216162D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    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
    0.8250    0.0000    0.0000 C   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
    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  1  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <DATABASE_ID>
DB02533

> <DATABASE_NAME>
drugbank

> <SMILES>
NNC(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)

> <INCHI_KEY>
InChIKey=HAMNKKUPIHEESI-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.882774760240139

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_EXACT_MASS>
74.059246212

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
CH6N4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-aminoguanidine

> <ALOGPS_LOGP>
-1.76

> <JCHEM_LOGP>
-1.4684813746666663

> <ALOGPS_LOGS>
-0.95

> <JCHEM_MASS>
74.0851

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
12.01256734572811

> <JCHEM_POLAR_SURFACE_AREA>
87.91999999999999

> <JCHEM_REFRACTIVITY>
40.8357

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminoguanidine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02533

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Aminoguanidine

$$$$