Molecule ID: mol32131

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

InChI: InChI=1S/C16H23N3OS/c1-15(2,3)10-7-9(13-17-14(21)19-18-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,18,19,21)

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