Molecule ID: mol2998

SMILES: O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3Cl)c3ccccc23)cc1

InChI: InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)

Experimental Macro pKa Values

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