Molecule ID: mol31604

SMILES: CCNCCS/C(=N\O)C(C)=O

InChI: InChI=1S/C7H14N2O2S/c1-3-8-4-5-12-7(9-11)6(2)10/h8,11H,3-5H2,1-2H3/b9-7-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization