Mrv0541 02241205362D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0360

> <DATABASE_NAME>
t3db

> <SMILES>
C[Hg]Cl

> <INCHI_IDENTIFIER>
InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1

> <INCHI_KEY>
BABMCXWQNSQAOC-UHFFFAOYSA-M

> <FORMULA>
CH3ClHg

> <MOLECULAR_WEIGHT>
251.08

> <EXACT_MASS>
251.962953407

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.085132050566715

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloro(methyl)mercury

> <ALOGPS_LOGP>
0.06

> <JCHEM_LOGP>
0.7058

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
11.9164

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.63e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylmercury chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0360

> <NAME>
Methylmercuric chloride

> <CAS>
125-09-3

> <SYNONYMS>
Carbocyclic bvdu; CH3HgCl; Chloromethylmercury; MeHgCl; Mercury methyl chloride; Methylmercury chloride; Monomethylmercury chloride

> <TYPES>
Mercury Compound; Organic Compound; Pesticide; Organometallic; Pollutant; Synthetic Compound

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