Molecule ID: mol20030

SMILES: Nc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccc(C(=O)NC3CC3)cc2)n1

InChI: InChI=1S/C26H24N4O/c27-25-8-4-7-22(28-25)17-30-23(18-5-2-1-3-6-18)15-16-24(30)19-9-11-20(12-10-19)26(31)29-21-13-14-21/h1-12,15-16,21H,13-14,17H2,(H2,27,28)(H,29,31)

Experimental Macro pKa Values

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