Molecule ID: mol21154

SMILES: COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N(C)C(C)(C)C)s3)ncn1CC2

InChI: InChI=1S/C22H26N4O3S/c1-22(2,3)25(4)21(27)20-23-11-17(30-20)18-19-14-10-16(29-6)15(28-5)9-13(14)7-8-26(19)12-24-18/h9-12H,7-8H2,1-6H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization