Molecule ID: mol256
SMILES: NCCCCS(=O)(=O)c1ccccc1
InChI: InChI=1S/C10H15NO2S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | OCHEM | 1 » 0 |
| 10.00 | AvLiLuMoVe | 1 » 0 |
| 10.00 | Settimo | 1 » 0 |
| 10.00 | AttenGpKa training set | 1 » 0 |