Molecule ID: mol1299
SMILES: c1ccc(CN2CCCC2)cc1
InChI: InChI=1S/C11H15N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.51 | Datawarrior | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.51 | Hunt | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.59 | AttenGpKa training set | 1 » 0 |