Molecule ID: mol14235
SMILES: CCCC1NC(C(=O)O)CS1
InChI: InChI=1S/C7H13NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.13 | AttenGpKa training set | 0 » -1 |
| 6.25 | Datawarrior | 0 » -1 |
| 6.25 | OCHEM | 0 » -1 |