Molecule ID: mol32093

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3nccc(N4CCCCC4)c3Cl)nc2c1

InChI: InChI=1S/C19H21ClN4O2S/c1-26-13-5-6-14-15(11-13)23-19(22-14)27(25)12-16-18(20)17(7-8-21-16)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,22,23)

Experimental Macro pKa Values

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