Mrv0541 02231217452D          

  7  7  0  0  0  0            999 V2000
    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
M  END
> <DATABASE_ID>
DB04558

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
InChIKey=DCNLOVYDMCVNRZ-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
10.76480188891059

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
279.009750764

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C6H5Hg

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phenylmercury

> <ALOGPS_LOGP>
0.55

> <JCHEM_LOGP>
0.9022000000000001

> <ALOGPS_LOGS>
-0.74

> <JCHEM_MASS>
277.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
25.4743

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.07e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenylmercury

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB04558

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Phenylmercury

$$$$