Molecule ID: mol2847

SMILES: COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1

InChI: InChI=1S/C27H30N2O2/c1-29(2)18-19-4-5-24-17-25(13-10-23(24)16-19)28-27(30)22-8-6-20(7-9-22)21-11-14-26(31-3)15-12-21/h6-15,17,19H,4-5,16,18H2,1-3H3,(H,28,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization