Molecule ID: mol2425
SMILES: Nc1ccc2c(c1)-c1ccccc1C2
InChI: InChI=1S/C13H11N/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.57 | IUPAC digitized pKa | 1 » 0 |
| 4.68 | OCHEM | 1 » 0 |
| 4.68 | QSARToolbox | 1 » 0 |
| 4.68 | IUPAC digitized pKa | 1 » 0 |
| 4.68 | Datawarrior | 1 » 0 |
| 4.82 | IUPAC digitized pKa | 1 » 0 |
| 4.82 | OCHEM | 1 » 0 |
| 4.82 | Hunt | 1 » 0 |
| 4.82 | OCHEM | 1 » 0 |
| 4.82 | QSARToolbox | 1 » 0 |