Molecule ID: mol32129

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

InChI: InChI=1S/C18H24N2O2S/c1-17(2,3)12-9-11(7-8-14-19-20-16(23)22-14)10-13(15(12)21)18(4,5)6/h7-10,21H,1-6H3,(H,20,23)/b8-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization