Mrv0541 02231218082D          

  6  4  0  0  0  0            999 V2000
    1.3084    3.6547    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.5864    1.0807    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8719    1.4932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    1.4932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    0.2557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    1.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <DATABASE_ID>
CHEM017934

> <DATABASE_NAME>
chemdb

> <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_AVERAGE_POLARIZABILITY>
7.321758230534364

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-azaniumylguanidine chloride

> <ALOGPS_LOGP>
-1.68

> <JCHEM_LOGP>
-1.5333147079999998

> <ALOGPS_LOGS>
-0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.766419880411812

> <JCHEM_POLAR_SURFACE_AREA>
92.03999999999999

> <JCHEM_REFRACTIVITY>
30.158800000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.28e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ammonioguanidine chloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Aminoguanidine hydrochloride

> <CAS>
1937-19-5

> <SYNONYMS>
N-aminoguanidine hydrochloride

$$$$