Molecule ID: mol2448
SMILES: C1=C(C2CCCCC2)NCC1
InChI: InChI=1S/C10H17N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h7,9,11H,1-6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | QSARToolbox | 1 » 0 |
| 7.91 | IUPAC digitized pKa | 1 » 0 |
| 7.91 | OCHEM | 1 » 0 |
| 7.91 | OCHEM | 1 » 0 |
| 7.91 | Hunt | 1 » 0 |
| 7.91 | OCHEM | 1 » 0 |