Molecule ID: mol4175
SMILES: CN(C)c1ncccn1
InChI: InChI=1S/C6H9N3/c1-9(2)6-7-4-3-5-8-6/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.87 | IUPAC digitized pKa | 1 » 0 |
| 3.93 | IUPAC digitized pKa | 1 » 0 |
| 3.93 | AttenGpKa training set | 1 » 0 |
| 3.96 | Datawarrior | 1 » 0 |
| 3.96 | OCHEM | 1 » 0 |
| 3.96 | QSARToolbox | 1 » 0 |
| 4.15 | IUPAC digitized pKa | 1 » 0 |