Molecule ID: mol26533

SMILES: COc1ccc2c(c1)ncn2C(=O)c1ccccc1

InChI: InChI=1S/C15H12N2O2/c1-19-12-7-8-14-13(9-12)16-10-17(14)15(18)11-5-3-2-4-6-11/h2-10H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.38 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization