Molecule ID: mol11349
SMILES: O=C(Cc1c[nH]c2ccccc12)NO
InChI: InChI=1S/C10H10N2O2/c13-10(12-14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11,14H,5H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | QSARToolbox | 0 » -1 |
| 9.50 | AttenGpKa training set | 0 » -1 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |