Mrv1652305271900212D          

  5  4  0  0  0  0            999 V2000
   -0.2843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4284    0.4132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005    0.4132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2843   -0.8262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1408    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB005421

> <DATABASE_NAME>
foodb

> <SMILES>
CNC(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)

> <INCHI_KEY>
CHJJGSNFBQVOTG-UHFFFAOYSA-N

> <FORMULA>
C2H7N3

> <MOLECULAR_WEIGHT>
73.0971

> <EXACT_MASS>
73.063997239

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
7.567812806222556

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-methylguanidine

> <ALOGPS_LOGP>
-1.33

> <JCHEM_LOGP>
-0.9592296159999999

> <ALOGPS_LOGS>
-0.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
12.776746351525006

> <JCHEM_POLAR_SURFACE_AREA>
61.9

> <JCHEM_REFRACTIVITY>
30.6334

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.57e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylguanidine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB005421

> <GENERIC_NAME>
Methylguanidine

$$$$