Mrv1909 01272020332D          

  6  4  0  0  0  0            999 V2000
    0.7732    1.5576    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.5175    2.3883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0909    2.3883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020    3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2328    2.8005    0.0000 N   0  3  0  0  0  0  0  0  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
  2  6  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END
> <DATABASE_ID>
DBSALT002490

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].NC(=N)N[NH3+]

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

> <INCHI_KEY>
UBDZFAGVPPMTIT-UHFFFAOYSA-N

> <FORMULA>
CH7ClN4

> <MOLECULAR_WEIGHT>
110.546

> <EXACT_MASS>
110.035923951

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0230910364724108

> <JCHEM_AVERAGE_POLARIZABILITY>
7.290437190382179

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-azaniumylguanidine chloride

> <ALOGPS_LOGP>
-2.69

> <JCHEM_LOGP>
-1.4684813746666663

> <ALOGPS_LOGS>
-1.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
12.01256734572811

> <JCHEM_POLAR_SURFACE_AREA>
89.53999999999999

> <JCHEM_REFRACTIVITY>
51.066500000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
prinomastat

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002490

> <NAME>
Pimagedine hydrochloride

> <DRUG_DRUGBANK_ID>
DB05383

> <DRUG_NAME>
Pimagedine

> <CAS_NUMBER>
1937-19-5

> <UNII>
A2Z7G2RGAH

$$$$