Molecule ID: mol7750
SMILES: Cc1ccc2c(N=O)ccc(O)c2n1
InChI: InChI=1S/C10H8N2O2/c1-6-2-3-7-8(12-14)4-5-9(13)10(7)11-6/h2-5,13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | IUPAC digitized pKa | 1 » 0 |
| 3.14 | IUPAC digitized pKa | 1 » 0 |
| 3.14 | OCHEM | 1 » 0 |
| 3.14 | QSARToolbox | 1 » 0 |
| 7.48 | IUPAC digitized pKa | 0 » -1 |
| 7.48 | IUPAC digitized pKa | 0 » -1 |
| 7.48 | OCHEM | 0 » -1 |
| 7.48 | QSARToolbox | 0 » -1 |