Mrv0541 08221314202D          

  5  3  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 N   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
    2.6518    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000737

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H

> <INCHI_KEY>
PJJJBBJSCAKJQF-UHFFFAOYSA-N

> <FORMULA>
CH6ClN3

> <MOLECULAR_WEIGHT>
95.531

> <EXACT_MASS>
95.025024914

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9999971716974311

> <JCHEM_AVERAGE_POLARIZABILITY>
5.570820106588469

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
guanidine hydrochloride

> <ALOGPS_LOGP>
-1.92

> <JCHEM_LOGP>
-1.236839015

> <ALOGPS_LOGS>
-0.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
12.547900248166645

> <JCHEM_POLAR_SURFACE_AREA>
75.89

> <JCHEM_REFRACTIVITY>
25.858800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.15e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000737

> <NAME>
Guanidine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00536

> <DRUG_NAME>
Guanidine

> <CAS_NUMBER>
50-01-1

> <UNII>
3YQC9ZY4YB

$$$$