Molecule ID: mol2119
SMILES: c1ccc(C(CCN2CCCCC2)c2ccccc2)cc1
InChI: InChI=1S/C20H25N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.91 | QSARToolbox | 1 » 0 |
| 8.91 | IUPAC digitized pKa | 1 » 0 |
| 8.91 | Hunt | 1 » 0 |
| 8.91 | OCHEM | 1 » 0 |
| 8.96 | Datawarrior | 1 » 0 |
| 8.96 | OCHEM | 1 » 0 |
| 8.96 | QSARToolbox | 1 » 0 |