Molecule ID: mol31646

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

InChI: InChI=1S/C14H20N2O3S/c1-4-16(2)9-10-20-14(15-18)13(17)11-5-7-12(19-3)8-6-11/h5-8,18H,4,9-10H2,1-3H3/b15-14-

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