Mrv0541 02241205182D          

  4  3  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1359

> <DATABASE_NAME>
t3db

> <SMILES>
CC[Hg]Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H5.ClH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1

> <INCHI_KEY>
QWUGXIXRFGEYBD-UHFFFAOYSA-M

> <FORMULA>
C2H5ClHg

> <MOLECULAR_WEIGHT>
265.1

> <EXACT_MASS>
265.978603471

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.996348114570118

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloro(ethyl)mercury

> <ALOGPS_LOGP>
0.54

> <JCHEM_LOGP>
1.0131

> <ALOGPS_LOGS>
-0.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
16.6372

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.64e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethylmercury chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1359

> <NAME>
Ethylmercury chloride

> <CAS>
107-27-7

> <SYNONYMS>
Ceresan; Chloride, ethyl mercury; Chloride, ethylmercuric; Chloride, ethylmercury; Chloroethylmercury; Cryptodine; Ethyl mercuric chloride; Ethyl mercury chloride; Ethylmercuric chloride; Ganozan; Granosan; Granozan

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

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