Molecule ID: mol2911

SMILES: Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)O

InChI: InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-6-5-10(14)7-11(12)13(16)17/h3-7H,1-2H3,(H,16,17)

Experimental Macro pKa Values

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