Molecule ID: mol17723

SMILES: COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CC(O)C(C)(C)C5)cc4)CC3)o2)cc1

InChI: InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization