Molecule ID: mol87
SMILES: CN(C)CCOC(c1ccccc1)c1ccccc1
InChI: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | QSARToolbox | 1 » 0 |
| 8.84 | QSARToolbox | 1 » 0 |
| 8.88 | Datawarrior | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.89 | AttenGpKa training set | 1 » 0 |
| 8.98 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.98 | OCHEM | 1 » 0 |
| 8.98 | OCHEM | 1 » 0 |
| 8.98 | OCHEM | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |
| 9.02 | Baltruschat ChEMBL | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | Hunt | 1 » 0 |
| 9.10 | Baltruschat ChEMBL | 1 » 0 |
| 9.10 | Baltruschat ChEMBL | 1 » 0 |
| 9.10 | Settimo | 1 » 0 |
| 9.10 | Settimo | 1 » 0 |
| 9.10 | Settimo | 1 » 0 |
| 9.30 | OCHEM | 1 » 0 |
| 9.30 | Baltruschat ChEMBL | 1 » 0 |