Molecule ID: mol1065
SMILES: COC(=O)c1cccc(N)c1
InChI: InChI=1S/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | IUPAC digitized pKa | 1 » 0 |
| 3.44 | QSARToolbox | 1 » 0 |
| 3.50 | OCHEM | 1 » 0 |
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | IUPAC digitized pKa | 1 » 0 |
| 3.55 | Datawarrior | 1 » 0 |
| 3.55 | OCHEM | 1 » 0 |
| 3.55 | OCHEM | 1 » 0 |
| 3.55 | Hunt | 1 » 0 |
| 3.56 | AttenGpKa training set | 1 » 0 |
| 3.58 | IUPAC digitized pKa | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |
| 3.61 | IUPAC digitized pKa | 1 » 0 |
| 3.64 | OCHEM | 1 » 0 |
| 3.64 | OCHEM | 1 » 0 |