Molecule ID: mol13543
SMILES: O=C1CN2CCC1CC2
InChI: InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.93 | QSARToolbox | 1 » 0 |
| 7.10 | QSARToolbox | 1 » 0 |
| 7.15 | QSARToolbox | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | AttenGpKa training set | 1 » 0 |
| 7.27 | Datawarrior | 1 » 0 |
| 7.27 | OCHEM | 1 » 0 |
| 7.46 | QSARToolbox | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |