Molecule ID: mol25758

SMILES: Cc1cc(C)[n+](C)c(S)n1

InChI: InChI=1S/C7H10N2S/c1-5-4-6(2)9(3)7(10)8-5/h4H,1-3H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.15 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization