Molecule ID: mol32088

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3nccc(N4CCOCC4)c3Cl)nc2c1

InChI: InChI=1S/C18H19ClN4O3S/c1-25-12-2-3-13-14(10-12)22-18(21-13)27(24)11-15-17(19)16(4-5-20-15)23-6-8-26-9-7-23/h2-5,10H,6-9,11H2,1H3,(H,21,22)

Experimental Macro pKa Values

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