Molecule ID: mol32096

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3nccc(N4CCCC4)c3Cl)nc2c1

InChI: InChI=1S/C18H19ClN4O2S/c1-25-12-4-5-13-14(10-12)22-18(21-13)26(24)11-15-17(19)16(6-7-20-15)23-8-2-3-9-23/h4-7,10H,2-3,8-9,11H2,1H3,(H,21,22)

Experimental Macro pKa Values

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