Molecule ID: mol7718
SMILES: CC(=O)c1ccc(O)c2ncccc12
InChI: InChI=1S/C11H9NO2/c1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11/h2-6,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 1 » 0 |
| 4.00 | Datawarrior | 1 » 0 |
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |
| 4.07 | Baltruschat ChEMBL | 1 » 0 |
| 4.21 | IUPAC digitized pKa | 1 » 0 |
| 4.21 | IUPAC digitized pKa | 1 » 0 |
| 4.21 | QSARToolbox | 1 » 0 |
| 4.39 | OCHEM | 1 » 0 |
| 4.56 | QSARToolbox | 1 » 0 |
| 4.56 | IUPAC digitized pKa | 1 » 0 |
| 4.56 | IUPAC digitized pKa | 1 » 0 |
| 7.62 | Baltruschat ChEMBL | 0 » -1 |
| 7.75 | Datawarrior | 0 » -1 |
| 7.75 | OCHEM | 0 » -1 |
| 7.75 | QSARToolbox | 0 » -1 |
| 7.75 | QSARToolbox | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | OCHEM | 0 » -1 |