Molecule ID: mol16836

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization