Molecule ID: mol34872

SMILES: COc1cccnc1C(=O)Nc1c(C)cccc1C

InChI: InChI=1S/C15H16N2O2/c1-10-6-4-7-11(2)13(10)17-15(18)14-12(19-3)8-5-9-16-14/h4-9H,1-3H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization