Molecule ID: mol32121

SMILES: CC(C)(C)c1cc(-c2n[nH]c(N)n2)cc(C(C)(C)C)c1O

InChI: InChI=1S/C16H24N4O/c1-15(2,3)10-7-9(13-18-14(17)20-19-13)8-11(12(10)21)16(4,5)6/h7-8,21H,1-6H3,(H3,17,18,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.00 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization