Molecule ID: mol18641

SMILES: Cc1cc(COc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1

InChI: InChI=1S/C21H20N4O/c1-16-13-20(24(22-16)18-9-5-3-6-10-18)15-26-21-14-17(2)23-25(21)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.70 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization