Molecule ID: mol29571

SMILES: CCN1C(=O)C(C)C(=O)N=C1SC

InChI: InChI=1S/C8H12N2O2S/c1-4-10-7(12)5(2)6(11)9-8(10)13-3/h5H,4H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization