Mrv1572004161621592D          

  8  5  0  0  0  0            999 V2000
   -0.7562   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1687   -1.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937    1.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937   -0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    0.3572    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.2509    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7217    0.0000 Hg  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  3  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END
> <DATABASE_ID>
CHEM001168

> <DATABASE_NAME>
chemdb

> <SMILES>
C.[Hg+].NC(=N)[N-]C#N

> <INCHI_IDENTIFIER>
InChI=1S/C2H3N4.CH4.Hg/c3-1-6-2(4)5;;/h(H3-,4,5,6);1H4;/q-1;;+1

> <INCHI_KEY>
POJYKQLAQMTQQB-UHFFFAOYSA-N

> <FORMULA>
C3H7HgN4

> <MOLECULAR_WEIGHT>
299.71

> <EXACT_MASS>
301.037714

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
6.9891642552757505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
mercury(1+) ion carbamimidoyl(cyano)azanide methane

> <ALOGPS_LOGP>
-1.21

> <JCHEM_LOGP>
-0.97871312

> <ALOGPS_LOGS>
-1.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.82547115863818

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.006445111120563

> <JCHEM_PKA_STRONGEST_BASIC>
5.1488198058215255

> <JCHEM_POLAR_SURFACE_AREA>
82.89

> <JCHEM_REFRACTIVITY>
30.9923

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.32e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mercury(1+) ion carbamimidoyl(cyano)azanide methane

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1350

> <NAME>
Methylmercuric dicyanamide

> <CAS>
502-39-6

> <SYNONYMS>
(3-Cyanoguanidino)methylmercury; 1-Cyano-3-(methylmercurio)guanidine; Cyano(methylmercuri)guanidine; Guanidine, cyano-, methylmercury deriv; Methyl mercuric dicyandiamide; Methylmercuric cyanoguanidine; Methylmercuric dicyandiamide; Methylmercury dicyandiamide; Methylmercury dicyanodiamide; Morsodren; N-cyano-n'-(methylmercury)guanidine

> <TYPES>
Mercury Compound; Organic Compound; Amine; Nitrile; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

$$$$