Molecule ID: mol17745

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC6(CCOC6)C5)cc4)C3)o2)cc1

InChI: InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization