Molecule ID: mol15996

SMILES: CCCNC(O)=S

InChI: InChI=1S/C4H9NOS/c1-2-3-5-4(6)7/h2-3H2,1H3,(H2,5,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.52 OCHEM 1 » 0
0.52 QSARToolbox 1 » 0
0.52 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization