Molecule ID: mol16832

SMILES: Cc1ccccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1

InChI: InChI=1S/C28H30N6O/c1-19(2)32-14-6-8-22(16-32)17-33-27(24-9-5-4-7-20(24)3)30-25-18-34(31-26(25)28(33)35)23-12-10-21(15-29)11-13-23/h4-5,7,9-13,18-19,22H,6,8,14,16-17H2,1-3H3

Experimental Macro pKa Values

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