Molecule ID: mol16835

SMILES: COc1cccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)c1

InChI: InChI=1S/C28H33N5O2/c1-19(2)31-14-8-10-21(16-31)17-32-27(24-13-6-5-9-20(24)3)29-25-18-33(30-26(25)28(32)34)22-11-7-12-23(15-22)35-4/h5-7,9,11-13,15,18-19,21H,8,10,14,16-17H2,1-4H3

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