Molecule ID: mol21575
SMILES: CCCN1CCN(c2ccccc2OC)CC1
InChI: InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17-2/h4-7H,3,8-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.18 | QSARToolbox | 1 » 0 |
| 8.29 | AttenGpKa training set | 1 » 0 |
| 8.29 | OCHEM | 1 » 0 |
| 8.29 | Baltruschat ChEMBL | 1 » 0 |