Molecule ID: mol5971
SMILES: NC12CCC(CC1)C2
InChI: InChI=1S/C7H13N/c8-7-3-1-6(5-7)2-4-7/h6H,1-5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | IUPAC digitized pKa | 1 » 0 |
| 10.19 | Datawarrior | 1 » 0 |
| 10.19 | OCHEM | 1 » 0 |
| 10.20 | IUPAC digitized pKa | 1 » 0 |
| 10.20 | AttenGpKa training set | 1 » 0 |