Molecule ID: mol2395
SMILES: c1ccc(NC2CCCC2)cc1
InChI: InChI=1S/C11H15N/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7,11-12H,4-5,8-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | Datawarrior | 1 » 0 |
| 5.30 | Hunt | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |
| 5.30 | AttenGpKa training set | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |