Molecule ID: mol128
SMILES: CCOC(=O)C1(c2ccccc2)CCN(C)CC1
InChI: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.58 | OCHEM | 1 » 0 |
| 8.59 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.59 | OCHEM | 1 » 0 |
| 8.60 | Datawarrior | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |
| 8.64 | OCHEM | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | Settimo | 1 » 0 |
| 8.70 | Settimo | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | Hunt | 1 » 0 |
| 10.50 | Baltruschat ChEMBL | 1 » 0 |