Molecule ID: mol2142
SMILES: c1ccc(C(CCN2CCOCC2)c2ccccc2)cc1
InChI: InChI=1S/C19H23NO/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)11-12-20-13-15-21-16-14-20/h1-10,19H,11-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.20 | Hunt | 1 » 0 |
| 7.20 | OCHEM | 1 » 0 |
| 7.25 | Datawarrior | 1 » 0 |
| 7.25 | OCHEM | 1 » 0 |
| 7.25 | QSARToolbox | 1 » 0 |