1.0 2010-04-08 22:13:44 UTC 2025-11-19 02:11:45 UTC FDB018487 Potato carboxypeptidase A inhibitor Isolated from potato. Potato carboxypeptidase A inhibitor is found in alcoholic beverages and potato. Carboxypeptidase inhibitor (potato AP-1-A) PCI C12H9ClO3S 268.71 267.996093 4-chlorophenyl benzenesulfonate 4-chlorophenyl benzenesulfonate 70322-64-4 ClC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1 InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H SPJOZZSIXXJYBT-UHFFFAOYSA-N belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid. Benzenesulfonate esters Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Aromatic homomonocyclic compounds Aryl chlorides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Chlorobenzenes Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organosulfonic acid esters Phenoxy compounds Sulfonyls Aromatic homomonocyclic compound Aryl chloride Aryl halide Arylsulfonic acid or derivatives Benzenesulfonate ester Benzenesulfonyl group Chlorobenzene Halobenzene Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organochloride Organohalogen compound Organooxygen compound Organosulfonic acid ester Organosulfonic acid or derivatives Organosulfur compound Phenoxy compound Sulfonyl Acaricides arenesulfonic acid logp 3.16 ALOGPS logs -3.95 ALOGPS solubility 2.99e-02 g/l ALOGPS logp 3.79 ChemAxon iupac 4-chlorophenyl benzenesulfonate ChemAxon average_mass 268.71 ChemAxon mono_mass 267.996093 ChemAxon smiles ClC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1 ChemAxon formula C12H9ClO3S ChemAxon inchi InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H ChemAxon inchikey SPJOZZSIXXJYBT-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 65.75 ChemAxon polarizability 25.09 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 114038 Specdb::CMs 127989 Specdb::MsMs 55191 Specdb::MsMs 55192 Specdb::MsMs 55193 Specdb::MsMs 118221 Specdb::MsMs 118222 Specdb::MsMs 118223 Specdb::MsMs 3433805 Specdb::MsMs 3433806 Specdb::MsMs 3433807 Specdb::MsMs 3433808 Specdb::MsMs 3433809 Specdb::MsMs 3433810 Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113