Molecule ID: mol13389
SMILES: O=C(O)CCc1nc2ccccc2[nH]1
InChI: InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | Datawarrior | 1 » 0 |
| 13.10 | Datawarrior | -1 » -2 |
| 13.10 | OCHEM | -1 » -2 |
| 13.10 | QSARToolbox | -1 » -2 |