Molecule ID: mol29385

SMILES: CN(C)c1ccc(C2NC(C(=O)O)CS2)cc1

InChI: InChI=1S/C12H16N2O2S/c1-14(2)9-5-3-8(4-6-9)11-13-10(7-17-11)12(15)16/h3-6,10-11,13H,7H2,1-2H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization