4-(Hydroxymercury)Benzoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 4-hydroxymercuribenzoic acids. These are benzoic acids containing a hydroxymercury (-HgOH) group attached to the 4-position of the benzene moiety.

4-Hydroxymercuribenzoic acids

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzoic acids and derivatives

Calculated Property

kind Value Source
logP 0.43 ALOGPS
logS -0.81 ALOGPS
Water Solubility 5.22e+01 g/l ALOGPS
logP -0.12 ChemAxon
IUPAC Name (4-carboxyphenyl)mercurol ChemAxon
Traditional IUPAC Name 4-(hydroxymercury)benzoic acid ChemAxon
Molecular Weight 338.71 ChemAxon
Monoisotopic Weight 340.002319662 ChemAxon
SMILES O[Hg]C1=CC=C(C=C1)C(O)=O ChemAxon
Molecular Formula C7H6HgO3 ChemAxon
InChI InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1 ChemAxon
InChIKey InChIKey=WMHRYLDWLOGHSG-UHFFFAOYSA-M ChemAxon
Polar Surface Area (PSA) 57.53 ChemAxon
Refractivity 35.3 ChemAxon
Polarizability 15.68 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.86 ChemAxon
pKa (strongest basic) -2.4 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Carbonic anhydrase 2 : in Human