Molecule ID: mol19426

SMILES: Cc1cn2cc(C(=O)N(C)C)c3c(c2n1)CC(c1ccccc1)CC3

InChI: InChI=1S/C21H23N3O/c1-14-12-24-13-19(21(25)23(2)3)17-10-9-16(11-18(17)20(24)22-14)15-7-5-4-6-8-15/h4-8,12-13,16H,9-11H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization