Molecule ID: mol13632
SMILES: O=C(O)Cn1cccc1
InChI: InChI=1S/C6H7NO2/c8-6(9)5-7-3-1-2-4-7/h1-4H,5H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | Datawarrior | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |