Molecule ID: mol2400
SMILES: CNc1ccccc1C
InChI: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | Datawarrior | 1 » 0 |
| 4.59 | QSARToolbox | 1 » 0 |
| 4.59 | OCHEM | 1 » 0 |
| 4.60 | QSARToolbox | 1 » 0 |
| 4.60 | IUPAC digitized pKa | 1 » 0 |
| 4.61 | OCHEM | 1 » 0 |
| 4.62 | QSARToolbox | 1 » 0 |
| 4.62 | IUPAC digitized pKa | 1 » 0 |
| 4.62 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.62 | OCHEM | 1 » 0 |
| 4.62 | Hunt | 1 » 0 |
| 5.08 | IUPAC digitized pKa | 1 » 0 |