Mrv0541 08221314242D          

 10  8  0  0  0  0            999 V2000
    1.7465    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1114    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3175    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259   -0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1114    0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3175    0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3969   -0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320   -0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017486

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.CN(C)C(=N)NC(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H

> <INCHI_KEY>
OETHQSJEHLVLGH-UHFFFAOYSA-N

> <FORMULA>
C4H12ClN5

> <MOLECULAR_WEIGHT>
165.625

> <EXACT_MASS>
165.078123116

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
13.42015671790842

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-carbamimidamido-N,N-dimethylmethanimidamide hydrochloride

> <ALOGPS_LOGP>
-1.83

> <JCHEM_LOGP>
-0.9184292649999999

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
12.325150598123228

> <JCHEM_POLAR_SURFACE_AREA>
88.99

> <JCHEM_REFRACTIVITY>
56.642700000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
metformin hydrochloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Metformin hydrochloride

> <CAS>
1115-70-4

$$$$