Molecule ID: mol32132

SMILES: CC(C)(C)c1cc(/C=C/c2n[nH]c(O)n2)cc(C(C)(C)C)c1O

InChI: InChI=1S/C18H25N3O2/c1-17(2,3)12-9-11(7-8-14-19-16(23)21-20-14)10-13(15(12)22)18(4,5)6/h7-10,22H,1-6H3,(H2,19,20,21,23)/b8-7+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.30 OCHEM -1 » -2
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Charge States and Microspecies Visualization