Molecule ID: mol17763

SMILES: O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O

InChI: InChI=1S/C22H20N4O3/c27-19-13-17(12-15-4-2-1-3-5-15)25-22(29)20(19)21(28)24-16-6-8-18(9-7-16)26-11-10-23-14-26/h1-11,14,17,27H,12-13H2,(H,24,28)(H,25,29)

Experimental Macro pKa Values

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