Molecule ID: mol8380
SMILES: Cc1cccc2cc3ccccc3nc12
InChI: InChI=1S/C14H11N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)15-14(10)12/h2-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 4.50 | AttenGpKa training set | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |