Mrv0541 02241204562D          

  5  4  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   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0349

> <DATABASE_NAME>
t3db

> <SMILES>
CC(=O)O[Hg]

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

> <INCHI_KEY>
WRYNUJYAXVDTCB-UHFFFAOYSA-M

> <FORMULA>
C2H3HgO2

> <MOLECULAR_WEIGHT>
259.63

> <EXACT_MASS>
260.983929944

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
6.856650157984468

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
mercurio acetate

> <ALOGPS_LOGP>
-0.64

> <JCHEM_LOGP>
-0.7566999999999999

> <ALOGPS_LOGS>
-0.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.615194819242814

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
11.7161

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mercurous acetate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0349

> <NAME>
Mercury(I) acetate

> <CAS>
631-60-7

> <SYNONYMS>
Dimercury di(acetate); HgOAc; Mercurous acetate; Mercury acetate; Mercury monoacetate; Mercury(I) acetic acid

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

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