Molecule ID: mol1180
SMILES: NC1Cc2ccccc2C1
InChI: InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.52 | QSARToolbox | 1 » 0 |
| 9.55 | Datawarrior | 1 » 0 |
| 9.55 | OCHEM | 1 » 0 |
| 9.57 | QSARToolbox | 1 » 0 |
| 9.57 | IUPAC digitized pKa | 1 » 0 |
| 9.57 | Hunt | 1 » 0 |
| 9.57 | OCHEM | 1 » 0 |