Molecule ID: mol4448
SMILES: COC(=O)c1ccc2ncccc2c1
InChI: InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |