Molecule ID: mol4447
SMILES: COC(=O)c1ccc2ccccc2n1
InChI: InChI=1S/C11H9NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.75 | IUPAC digitized pKa | 1 » 0 |
| 1.75 | QSARToolbox | 1 » 0 |
| 1.75 | Datawarrior | 1 » 0 |
| 1.75 | OCHEM | 1 » 0 |
| 1.75 | QSARToolbox | 1 » 0 |
| 1.75 | OCHEM | 1 » 0 |
| 1.76 | IUPAC digitized pKa | 1 » 0 |
| 1.76 | QSARToolbox | 1 » 0 |