Molecule ID: mol2999

SMILES: O=C(O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1

InChI: InChI=1S/C23H16ClN3O3/c24-17-10-6-15(7-11-17)21-20(14-27(26-21)19-4-2-1-3-5-19)22(28)25-18-12-8-16(9-13-18)23(29)30/h1-14H,(H,25,28)(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.20 Novartis 0 » -1
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Charge States and Microspecies Visualization