Molecule ID: mol38137

SMILES: Cc1ncc(C(C)(C)[n+]2csc(CCO)c2C)c(N)n1

InChI: InChI=1S/C14H21N4OS/c1-9-12(5-6-19)20-8-18(9)14(3,4)11-7-16-10(2)17-13(11)15/h7-8,19H,5-6H2,1-4H3,(H2,15,16,17)/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.55 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization