Molecule ID: mol17737

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)C)cn4)C3)o2)cc1

InChI: InChI=1S/C21H23N5O4/c1-25(2)11-14-4-9-18(22-10-14)29-17-12-26(13-17)21(27)20-24-23-19(30-20)15-5-7-16(28-3)8-6-15/h4-10,17H,11-13H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization