Mrv0541 05041405082D          

  4  3  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    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 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <DATABASE_ID>
DB04361

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]N=NC

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2/c1-3-2/h2H,1H3/b3-2+

> <INCHI_KEY>
JYXPWUYLZPYOAH-NSCUHMNNSA-N

> <FORMULA>
CH4N2

> <MOLECULAR_WEIGHT>
44.0559

> <EXACT_MASS>
44.037448138

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.1667128888837458e-06

> <JCHEM_AVERAGE_POLARIZABILITY>
4.312756765312592

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyldiazene

> <ALOGPS_LOGP>
-0.63

> <JCHEM_LOGP>
-0.02823263766666674

> <ALOGPS_LOGS>
-1.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.0771963439169927

> <JCHEM_POLAR_SURFACE_AREA>
36.21

> <JCHEM_REFRACTIVITY>
10.961300000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.97e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB04361

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01715

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Methyldiazene

> <SYNONYMS>
Diazene, methyl- (9CI); Methyldiimide

$$$$