Molecule ID: mol15721
SMILES: CCOC(=O)Cc1nc2ccccc2[nH]1
InChI: InChI=1S/C11H12N2O2/c1-2-15-11(14)7-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,12,13)
| 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 | 0 » -1 |
| 13.10 | OCHEM | 0 » -1 |