Molecule ID: mol11019
SMILES: CN1CC(O)C2=CC(=NO)C(=O)C=C21
InChI: InChI=1S/C9H10N2O3/c1-11-4-9(13)5-2-6(10-14)8(12)3-7(5)11/h2-3,9,13-14H,4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | Datawarrior | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | OCHEM | 0 » -1 |