Molecule ID: mol31641

SMILES: CNCCS/C(=N\O)C(=O)c1ccc(OC)cc1

InChI: InChI=1S/C12H16N2O3S/c1-13-7-8-18-12(14-16)11(15)9-3-5-10(17-2)6-4-9/h3-6,13,16H,7-8H2,1-2H3/b14-12-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization