Molecule ID: mol32124

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

InChI: InChI=1S/C18H25N3OS/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

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

Charge States and Microspecies Visualization