Molecule ID: mol3698
SMILES: CCOC(=O)c1cccnc1
InChI: InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.18 | QSARToolbox | 1 » 0 |
| 3.20 | Datawarrior | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 3.35 | QSARToolbox | 1 » 0 |
| 3.35 | IUPAC digitized pKa | 1 » 0 |
| 3.35 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.35 | OCHEM | 1 » 0 |
| 3.35 | OCHEM | 1 » 0 |
| 3.35 | OCHEM | 1 » 0 |
| 3.35 | OCHEM | 1 » 0 |
| 3.35 | OCHEM | 1 » 0 |
| 3.35 | AttenGpKa training set | 1 » 0 |