Molecule ID: mol105
SMILES: COCCc1ccc(OCC(O)CNC(C)C)cc1
InChI: InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.17 | OCHEM | 1 » 0 |
| 9.24 | QSARToolbox | 1 » 0 |
| 9.56 | OCHEM | 1 » 0 |
| 9.56 | Settimo | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |
| 9.63 | AttenGpKa training set | 1 » 0 |
| 9.63 | QSARToolbox | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | Settimo | 1 » 0 |
| 9.70 | Settimo | 1 » 0 |