Molecule ID: mol10776

SMILES: O=c1[nH]c(Cl)cc2c1CCC2

InChI: InChI=1S/C8H8ClNO/c9-7-4-5-2-1-3-6(5)8(11)10-7/h4H,1-3H2,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.13 IUPAC digitized pKa 1 » 0
8.53 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization