Mrv0541 02241205372D          

  8  8  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    0.0000    0.8250    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1354

> <DATABASE_NAME>
t3db

> <SMILES>
Cl[Hg]C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1

> <INCHI_KEY>
AWGTVRDHKJQFAX-UHFFFAOYSA-M

> <FORMULA>
C6H5ClHg

> <MOLECULAR_WEIGHT>
313.15

> <EXACT_MASS>
313.978603471

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.980604296074908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloro(phenyl)mercury

> <ALOGPS_LOGP>
1.56

> <JCHEM_LOGP>
1.5367

> <ALOGPS_LOGS>
-1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
31.6106

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.61e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenyl mercuric chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1354

> <NAME>
Phenylmercuric chloride

> <CAS>
100-56-1

> <SYNONYMS>
Chlorid fenylrtutnaty; Chlorophenylmercury; Mercuriphenyl chloride; Monophenylmercury chloride; Phenyl chloromercury; Phenyl mercuric chloride; Phenylmercury chloride; Phenylmercury(II) chloride

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

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