Molecule ID: mol34341

SMILES: O=C(NCCCO)C(=S)NCCCO

InChI: InChI=1S/C8H16N2O3S/c11-5-1-3-9-7(13)8(14)10-4-2-6-12/h11-12H,1-6H2,(H,9,13)(H,10,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.70 QSARToolbox 0 » -1
11.73 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization