Molecule ID: mol17722

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC(OC)C5)cc4)C3)o2)cc1

InChI: InChI=1S/C24H26N4O5/c1-30-18-9-5-17(6-10-18)22-25-26-23(33-22)24(29)28-14-21(15-28)32-19-7-3-16(4-8-19)11-27-12-20(13-27)31-2/h3-10,20-21H,11-15H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization