Molecule ID: mol17732

SMILES: COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCN(C)CC5)cc4)CC3)o2)cc1

InChI: InChI=1S/C27H33N5O4/c1-30-15-17-31(18-16-30)19-20-3-7-23(8-4-20)35-24-11-13-32(14-12-24)27(33)26-29-28-25(36-26)21-5-9-22(34-2)10-6-21/h3-10,24H,11-19H2,1-2H3

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