Molecule ID: mol16125

SMILES: CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1

InChI: InChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization