Molecule ID: mol26332

SMILES: COc1cccc2c(N(C)C)nc(-c3ccccc3)nc12

InChI: InChI=1S/C17H17N3O/c1-20(2)17-13-10-7-11-14(21-3)15(13)18-16(19-17)12-8-5-4-6-9-12/h4-11H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization