Molecule ID: mol3683
SMILES: CN(C)c1ccncc1
InChI: InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | QSARToolbox | 2 » 1 |
| 4.99 | QSARToolbox | 2 » 1 |
| 5.06 | QSARToolbox | 2 » 1 |
| 5.11 | QSARToolbox | 2 » 1 |
| 5.14 | QSARToolbox | 2 » 1 |
| 5.18 | QSARToolbox | 2 » 1 |
| 6.29 | QSARToolbox | 1 » 0 |
| 6.50 | QSARToolbox | 1 » 0 |
| 7.65 | QSARToolbox | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.78 | QSARToolbox | 1 » 0 |
| 7.85 | QSARToolbox | 1 » 0 |
| 7.86 | QSARToolbox | 1 » 0 |
| 8.13 | QSARToolbox | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |
| 8.51 | QSARToolbox | 1 » 0 |
| 8.63 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.85 | QSARToolbox | 1 » 0 |
| 9.04 | QSARToolbox | 1 » 0 |
| 9.27 | QSARToolbox | 1 » 0 |
| 9.33 | IUPAC digitized pKa | 1 » 0 |
| 9.47 | QSARToolbox | 1 » 0 |
| 9.55 | QSARToolbox | 1 » 0 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.61 | IUPAC digitized pKa | 1 » 0 |
| 9.68 | QSARToolbox | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | QSARToolbox | 1 » 0 |
| 9.70 | QSARToolbox | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.73 | QSARToolbox | 1 » 0 |
| 9.73 | QSARToolbox | 1 » 0 |
| 9.87 | QSARToolbox | 1 » 0 |
| 10.14 | IUPAC digitized pKa | 1 » 0 |
| 10.14 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |