Molecule ID: mol3331
SMILES: CCC(C)N(C)c1ccccc1
InChI: InChI=1S/C11H17N/c1-4-10(2)12(3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | AttenGpKa training set | 1 » 0 |
| 6.03 | IUPAC digitized pKa | 1 » 0 |
| 6.03 | Datawarrior | 1 » 0 |
| 6.03 | OCHEM | 1 » 0 |
| 6.03 | OCHEM | 1 » 0 |
| 6.30 | QSARToolbox | 1 » 0 |