Molecule ID: mol31643

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

InChI: InChI=1S/C13H18N2O3S/c1-3-14-8-9-19-13(15-17)12(16)10-4-6-11(18-2)7-5-10/h4-7,14,17H,3,8-9H2,1-2H3/b15-13-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization