Molecule ID: mol1147
SMILES: N=C(c1ccccc1)c1ccccc1
InChI: InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.82 | Datawarrior | 1 » 0 |
| 6.82 | OCHEM | 1 » 0 |
| 7.00 | AttenGpKa training set | 1 » 0 |
| 7.18 | IUPAC digitized pKa | 1 » 0 |
| 7.18 | Hunt | 1 » 0 |
| 7.48 | OCHEM | 1 » 0 |
| 7.48 | OCHEM | 1 » 0 |