Mrv1652306231722492D          

 19 17  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0127   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127    1.1344    0.0000 Hg  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.9906    0.0000 Hg  0  3  0  0  0  0  0  0  0  0  0  0
    3.0127    1.9594    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  4   4  -1  11   1  18   1  19  -1
M  END
> <DATABASE_ID>
DB13834

> <DATABASE_NAME>
drugbank

> <SMILES>
[OH-].OB(O)[O-].[Hg+]C1=CC=CC=C1.[Hg+]C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C6H5.BH2O3.2Hg.H2O/c2*1-2-4-6-5-3-1;2-1(3)4;;;/h2*1-5H;2-3H;;;1H2/q;;-1;2*+1;/p-1

> <INCHI_KEY>
OASPSZUQLPQSSC-UHFFFAOYSA-M

> <FORMULA>
C12H13BHg2O4

> <MOLECULAR_WEIGHT>
633.22

> <EXACT_MASS>
636.031975

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
10.766616722697322

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(phenylmercuryylium) dihydrogen borate hydroxide

> <ALOGPS_LOGP>
0.28

> <JCHEM_LOGP>
0.9022000000000001

> <ALOGPS_LOGS>
-0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
25.4743

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.41e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(phenylmercury(II)) dihydrogenborate hydroxide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13834

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Phenylmercuric borate

> <SYNONYMS>
Phenylmercuric borate

$$$$