Molecule ID: mol34700

SMILES: CC(=O)C=C(S)Nc1ccc(C)cc1

InChI: InChI=1S/C11H13NOS/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-7,12,14H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization