Molecule ID: mol2397
SMILES: CCN(CC)c1ccccc1C
InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |
| 7.18 | Datawarrior | 1 » 0 |
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | OCHEM | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.24 | QSARToolbox | 1 » 0 |
| 7.24 | IUPAC digitized pKa | 1 » 0 |
| 7.24 | OCHEM | 1 » 0 |
| 7.24 | Hunt | 1 » 0 |
| 7.24 | OCHEM | 1 » 0 |
| 7.24 | QSARToolbox | 1 » 0 |