Molecule ID: mol1450
SMILES: Nc1ccc2c3c(cccc13)CC2
InChI: InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | QSARToolbox | 1 » 0 |
| 4.58 | IUPAC digitized pKa | 1 » 0 |
| 4.58 | OCHEM | 1 » 0 |
| 4.58 | Hunt | 1 » 0 |
| 4.58 | AttenGpKa training set | 1 » 0 |