Molecule ID: mol2430
SMILES: COC(=O)c1cc(N)cc2ccccc12
InChI: InChI=1S/C12H11NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 1 » 0 |
| 3.38 | Hunt | 1 » 0 |
| 3.38 | OCHEM | 1 » 0 |
| 3.38 | AttenGpKa training set | 1 » 0 |
| 3.38 | QSARToolbox | 1 » 0 |