Molecule ID: mol15483

SMILES: Cc1cc(Nc2ccc(O)cc2)c(C(C)C)cc1O

InChI: InChI=1S/C16H19NO2/c1-10(2)14-9-16(19)11(3)8-15(14)17-12-4-6-13(18)7-5-12/h4-10,17-19H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.85 Datawarrior 0 » -1
9.85 QSARToolbox 0 » -1
10.30 OCHEM -1 » -2
10.74 Datawarrior -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization