Molecule ID: mol1064
SMILES: COC(=O)c1ccccc1N
InChI: InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.16 | AttenGpKa training set | 1 » 0 |
| 2.23 | IUPAC digitized pKa | 1 » 0 |
| 2.23 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.23 | OCHEM | 1 » 0 |
| 2.23 | OCHEM | 1 » 0 |
| 2.23 | OCHEM | 1 » 0 |
| 2.23 | Hunt | 1 » 0 |
| 2.23 | OCHEM | 1 » 0 |
| 2.23 | OCHEM | 1 » 0 |
| 2.23 | OCHEM | 1 » 0 |
| 2.23 | QSARToolbox | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |