Molecule ID: mol4321
SMILES: c1ccc2cnccc2c1
InChI: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | QSARToolbox | 1 » 0 |
| 5.36 | IUPAC digitized pKa | 1 » 0 |
| 5.36 | Datawarrior | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.37 | Baltruschat ChEMBL | 1 » 0 |
| 5.38 | IUPAC digitized pKa | 1 » 0 |
| 5.38 | QSARToolbox | 1 » 0 |
| 5.40 | IUPAC digitized pKa | 1 » 0 |
| 5.40 | OCHEM | 1 » 0 |
| 5.40 | OCHEM | 1 » 0 |
| 5.40 | OCHEM | 1 » 0 |
| 5.40 | Baltruschat ChEMBL | 1 » 0 |
| 5.40 | QSARToolbox | 1 » 0 |
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |
| 5.44 | AttenGpKa training set | 1 » 0 |
| 5.46 | QSARToolbox | 1 » 0 |
| 8.37 | QSARToolbox | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |
| 8.96 | QSARToolbox | 1 » 0 |