Molecule ID: mol13544
SMILES: OC1CN2CCC1CC2
InChI: InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.48 | QSARToolbox | 1 » 0 |
| 9.48 | QSARToolbox | 1 » 0 |
| 9.54 | QSARToolbox | 1 » 0 |
| 9.54 | QSARToolbox | 1 » 0 |
| 9.70 | QSARToolbox | 1 » 0 |
| 9.76 | AttenGpKa training set | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |
| 9.91 | QSARToolbox | 1 » 0 |
| 9.91 | QSARToolbox | 1 » 0 |
| 9.93 | Datawarrior | 1 » 0 |
| 9.93 | OCHEM | 1 » 0 |
| 10.02 | QSARToolbox | 1 » 0 |
| 10.02 | QSARToolbox | 1 » 0 |
| 10.04 | QSARToolbox | 1 » 0 |
| 10.04 | QSARToolbox | 1 » 0 |
| 10.10 | QSARToolbox | 1 » 0 |
| 10.10 | QSARToolbox | 1 » 0 |
| 10.10 | QSARToolbox | 1 » 0 |