Molecule ID: mol14965
SMILES: CCOC(=O)c1cnc2ccccc2c1OCC
InChI: InChI=1S/C14H15NO3/c1-3-17-13-10-7-5-6-8-12(10)15-9-11(13)14(16)18-4-2/h5-9H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | Datawarrior | 1 » 0 |
| 3.88 | OCHEM | 1 » 0 |
| 3.88 | QSARToolbox | 1 » 0 |