Molecule ID: mol4041
SMILES: Cc1cccnn1
InChI: InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | IUPAC digitized pKa | 1 » 0 |
| 3.46 | Datawarrior | 1 » 0 |
| 3.46 | OCHEM | 1 » 0 |
| 3.46 | OCHEM | 1 » 0 |
| 3.46 | QSARToolbox | 1 » 0 |
| 3.46 | QSARToolbox | 1 » 0 |