Molecule ID: mol4013
SMILES: Cn1cccn1
InChI: InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.04 | IUPAC digitized pKa | 1 » 0 |
| 2.04 | OCHEM | 1 » 0 |
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.09 | AttenGpKa training set | 1 » 0 |
| 2.19 | QSARToolbox | 1 » 0 |
| 2.40 | QSARToolbox | 1 » 0 |
| 2.48 | Datawarrior | 1 » 0 |
| 2.48 | OCHEM | 1 » 0 |
| 2.77 | QSARToolbox | 1 » 0 |