Molecule ID: mol34342
SMILES: O=C(NCCCCO)C(=S)NCCCCO
InChI: InChI=1S/C10H20N2O3S/c13-7-3-1-5-11-9(15)10(16)12-6-2-4-8-14/h13-14H,1-8H2,(H,11,15)(H,12,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.00 | QSARToolbox | 0 » -1 |
| 12.02 | QSARToolbox | 0 » -1 |