Molecule ID: mol10558

SMILES: COC(=O)c1ccc(O)c(Cl)c1

InChI: InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.73 IUPAC digitized pKa 0 » -1
6.88 AttenGpKa training set 0 » -1
6.88 QSARToolbox 0 » -1
6.88 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization