Mrv0541 02231217062D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Hg  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  CHG  1   2   1
M  END
> <DATABASE_ID>
T3D0123

> <DATABASE_NAME>
t3db

> <SMILES>
C[Hg+]

> <INCHI_IDENTIFIER>
InChI=1S/CH3.Hg/h1H3;/q;+1

> <INCHI_KEY>
DBUXSCUEGJMZAE-UHFFFAOYSA-N

> <FORMULA>
CH3Hg

> <MOLECULAR_WEIGHT>
215.62

> <EXACT_MASS>
216.9941007

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.194566169635813

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methylmercuryylium

> <ALOGPS_LOGP>
0.06

> <JCHEM_LOGP>
0.48860000000000015

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
5.5491

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.63e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl mercury ion

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0123

> <NAME>
Methylmercury

> <CAS>
22967-92-6

> <SYNONYMS>
CH3Hg(+); CH3Hg+; Methyl mercury; Methyl mercury ion; Methylmercury II; Methylmercury ion; Methylmercury ion(1+); Methylmercury(1+); Methylmercury(II); Methylmercury(II) cation; Monomethylmercury cation; [HgCH3](+); [HgMe](+)

> <TYPES>
Mercury Compound; Organic Compound; Organometallic; Pollutant; Synthetic Compound; Waste Product

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