Molecule ID: mol624

SMILES: O=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl

InChI: InChI=1S/C18H14Cl2N4O3/c19-14-4-2-1-3-11(14)7-8-21-17(26)13-9-12(5-6-15(13)20)24-18(27)23-16(25)10-22-24/h1-6,9-10H,7-8H2,(H,21,26)(H,23,25,27)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.10 Hunt 0 » -1
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Charge States and Microspecies Visualization