Molecule ID: mol3027

SMILES: O=c1[nH]c2ccccc2c(=O)n1CCCl

InChI: InChI=1S/C10H9ClN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)

Experimental Macro pKa Values

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