Molecule ID: mol1203
SMILES: COC(=O)c1cc(N)c2ccccc2c1
InChI: InChI=1S/C12H11NO2/c1-15-12(14)9-6-8-4-2-3-5-10(8)11(13)7-9/h2-7H,13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | QSARToolbox | 1 » 0 |
| 3.12 | IUPAC digitized pKa | 1 » 0 |
| 3.12 | Hunt | 1 » 0 |
| 3.12 | OCHEM | 1 » 0 |
| 3.12 | AttenGpKa training set | 1 » 0 |