Mrv0541 02241204352D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    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 C   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
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1358

> <DATABASE_NAME>
t3db

> <SMILES>
CC[Hg]CC

> <INCHI_IDENTIFIER>
InChI=1S/2C2H5.Hg/c2*1-2;/h2*1H2,2H3;

> <INCHI_KEY>
SPIUPAOJDZNUJH-UHFFFAOYSA-N

> <FORMULA>
C4H10Hg

> <MOLECULAR_WEIGHT>
258.71

> <EXACT_MASS>
260.048875924

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
10.725885079402122

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diethylmercury

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
1.1016000000000001

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
20.6938

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.47e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diethylmercury

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1358

> <NAME>
Diethyl mercury

> <CAS>
627-44-1

> <SYNONYMS>
Diethylmercury; Ethylmercury

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

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