Molecule ID: mol37024

SMILES: Cc1ccc(C(=O)N[S+](C)C)cc1

InChI: InChI=1S/C10H13NOS/c1-8-4-6-9(7-5-8)10(12)11-13(2)3/h4-7H,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization