Molecule ID: mol2076
SMILES: CCc1cccc(N)c1
InChI: InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | QSARToolbox | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | Hunt | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.70 | OCHEM | 1 » 0 |
| 4.76 | AttenGpKa training set | 1 » 0 |
| 4.76 | QSARToolbox | 1 » 0 |