Molecule ID: mol3889
SMILES: c1ccc(N2CCCC2)cc1
InChI: InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | QSARToolbox | 1 » 0 |
| 4.30 | Datawarrior | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |
| 4.30 | AttenGpKa training set | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |