Molecule ID: mol32119

SMILES: CC(C)(C)c1cc(/C=C/c2nnc(O)o2)cc(C(C)(C)C)c1O

InChI: InChI=1S/C18H24N2O3/c1-17(2,3)12-9-11(7-8-14-19-20-16(22)23-14)10-13(15(12)21)18(4,5)6/h7-10,21H,1-6H3,(H,20,22)/b8-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.50 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization