Molecule ID: mol955
SMILES: N[C@@H]1CCCC[C@H]1O
InChI: InChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.53 | OCHEM | 1 » 0 |
| 9.53 | Hunt | 1 » 0 |
| 9.63 | IUPAC digitized pKa | 1 » 0 |
| 9.63 | IUPAC digitized pKa | 1 » 0 |
| 9.63 | QSARToolbox | 1 » 0 |