Molecule ID: mol2005
SMILES: O=C(Cc1ccccc1)NO
InChI: InChI=1S/C8H9NO2/c10-8(9-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | Hunt | 0 » -1 |
| 9.19 | AttenGpKa training set | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.26 | Datawarrior | 0 » -1 |
| 9.26 | OCHEM | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |