Molecule ID: mol1013

SMILES: O=C(O)c1c(Cl)cccc1CO

InChI: InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,10H,4H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.26 QSARToolbox 0 » -1
2.26 QSARToolbox 0 » -1
2.26 Hunt 0 » -1
2.26 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization