Molecule ID: mol3003

SMILES: O=C(O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1

InChI: InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)

Experimental Macro pKa Values

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