Molecule ID: mol11050
SMILES: O=C(NO)C(CO)c1ccccc1
InChI: InChI=1S/C9H11NO3/c11-6-8(9(12)10-13)7-4-2-1-3-5-7/h1-5,8,11,13H,6H2,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | AttenGpKa training set | 0 » -1 |