Molecule ID: mol21153

SMILES: COc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(C)n1CC2

InChI: InChI=1S/C19H19N3O2/c1-12-21-18(14-5-4-7-20-11-14)19-15-10-17(24-3)16(23-2)9-13(15)6-8-22(12)19/h4-5,7,9-11H,6,8H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.00 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization