Molecule ID: mol3629
SMILES: Cc1ncc(CO)c(C)c1OCc1ccccc1
InChI: InChI=1S/C15H17NO2/c1-11-14(9-17)8-16-12(2)15(11)18-10-13-6-4-3-5-7-13/h3-8,17H,9-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.52 | QSARToolbox | 1 » 0 |
| 5.52 | QSARToolbox | 1 » 0 |
| 5.52 | IUPAC digitized pKa | 1 » 0 |
| 5.52 | Datawarrior | 1 » 0 |
| 5.52 | OCHEM | 1 » 0 |
| 5.52 | OCHEM | 1 » 0 |
| 5.52 | AttenGpKa training set | 1 » 0 |