Molecule ID: mol17738

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

InChI: InChI=1S/C22H24N4O4/c1-25(2)12-15-4-8-18(9-5-15)29-19-13-26(14-19)22(27)21-24-23-20(30-21)16-6-10-17(28-3)11-7-16/h4-11,19H,12-14H2,1-3H3

Experimental Macro pKa Values

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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