Molecule ID: mol21428

SMILES: COc1ccc(C(Cc2cc([N+](=O)[O-])ccc2OC)c2cn(C)c(N)n2)cc1

InChI: InChI=1S/C20H22N4O4/c1-23-12-18(22-20(23)21)17(13-4-7-16(27-2)8-5-13)11-14-10-15(24(25)26)6-9-19(14)28-3/h4-10,12,17H,11H2,1-3H3,(H2,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization