Molecule ID: mol16827

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

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

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