Molecule ID: mol1069
SMILES: CNc1ccccc1C(=O)OC
InChI: InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 1 » 0 |
| 3.53 | IUPAC digitized pKa | 1 » 0 |
| 3.53 | OCHEM | 1 » 0 |
| 3.53 | Hunt | 1 » 0 |
| 3.53 | OCHEM | 1 » 0 |
| 3.53 | AttenGpKa training set | 1 » 0 |