Molecule ID: mol16834

SMILES: Cc1ccccc1-c1nc2cn(-c3cccc(Cl)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1

InChI: InChI=1S/C27H30ClN5O/c1-18(2)31-13-7-9-20(15-31)16-32-26(23-12-5-4-8-19(23)3)29-24-17-33(30-25(24)27(32)34)22-11-6-10-21(28)14-22/h4-6,8,10-12,14,17-18,20H,7,9,13,15-16H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization