Molecule ID: mol32092

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(N(C)C)c3Cl)nc2c1

InChI: InChI=1S/C17H19ClN4O2S/c1-10-8-19-14(15(18)16(10)22(2)3)9-25(23)17-20-12-6-5-11(24-4)7-13(12)21-17/h5-8H,9H2,1-4H3,(H,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.92 OCHEM 1 » 0
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Charge States and Microspecies Visualization