Molecule ID: mol265
SMILES: CN(C)CCCCS(=O)(=O)c1ccccc1
InChI: InChI=1S/C12H19NO2S/c1-13(2)10-6-7-11-16(14,15)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | OCHEM | 1 » 0 |
| 9.30 | AvLiLuMoVe | 1 » 0 |
| 9.30 | Settimo | 1 » 0 |
| 9.30 | AttenGpKa training set | 1 » 0 |