Molecule ID: mol14026

SMILES: Cc1ccc(O)c2[n+]1CCS2

InChI: InChI=1S/C8H9NOS/c1-6-2-3-7(10)8-9(6)4-5-11-8/h2-3H,4-5H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization