Molecule ID: mol2165
SMILES: Nc1cc2c3c(cccc3c1)CC2
InChI: InChI=1S/C12H11N/c13-11-6-9-3-1-2-8-4-5-10(7-11)12(8)9/h1-3,6-7H,4-5,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | Hunt | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |
| 4.50 | AttenGpKa training set | 1 » 0 |