Molecule ID: mol32130

SMILES: CC(C)(C)c1cc(-c2nnc(S)n2N)cc(C(C)(C)C)c1O

InChI: InChI=1S/C16H24N4OS/c1-15(2,3)10-7-9(13-18-19-14(22)20(13)17)8-11(12(10)21)16(4,5)6/h7-8,21H,17H2,1-6H3,(H,19,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization