Molecule ID: mol2489
SMILES: N[C@@H]1C[C@H]1c1ccccc1
InChI: InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | Baltruschat ChEMBL | 1 » 0 |
| 8.27 | IUPAC digitized pKa | 1 » 0 |
| 8.27 | OCHEM | 1 » 0 |
| 8.27 | Hunt | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |