Molecule ID: mol15485

SMILES: Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1

InChI: InChI=1S/C16H19NO2/c1-10(2)14-9-15(11(3)8-16(14)19)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
10.34 OCHEM -1 » -2
10.82 Datawarrior -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization