Molecule ID: mol679
SMILES: O=C(CNC(=O)c1ccccc1)NO
InChI: InChI=1S/C9H10N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-5,14H,6H2,(H,10,13)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | OCHEM | 0 » -1 |
| 8.80 | Hunt | 0 » -1 |
| 8.80 | AttenGpKa training set | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |