Molecule ID: mol32684

SMILES: COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC2CCC(C1)N2Cc1ccccc1

InChI: InChI=1S/C22H25N3O4/c1-29-21-10-9-19(25(27)28)13-20(21)22(26)23-16-11-17-7-8-18(12-16)24(17)14-15-5-3-2-4-6-15/h2-6,9-10,13,16-18H,7-8,11-12,14H2,1H3,(H,23,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization