Molecule ID: mol3747
SMILES: Cc1ccncc1
InChI: InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | QSARToolbox | 1 » 0 |
| 3.92 | QSARToolbox | 1 » 0 |
| 3.94 | QSARToolbox | 1 » 0 |
| 3.97 | QSARToolbox | 1 » 0 |
| 4.13 | QSARToolbox | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |
| 4.78 | QSARToolbox | 1 » 0 |
| 4.99 | QSARToolbox | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.23 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |
| 5.39 | QSARToolbox | 1 » 0 |
| 5.43 | QSARToolbox | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.64 | QSARToolbox | 1 » 0 |
| 5.68 | QSARToolbox | 1 » 0 |
| 5.74 | IUPAC digitized pKa | 1 » 0 |
| 5.85 | QSARToolbox | 1 » 0 |
| 5.92 | IUPAC digitized pKa | 1 » 0 |
| 5.92 | QSARToolbox | 1 » 0 |
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.98 | IUPAC digitized pKa | 1 » 0 |
| 5.98 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.98 | OCHEM | 1 » 0 |
| 5.98 | OCHEM | 1 » 0 |
| 5.98 | QSARToolbox | 1 » 0 |
| 5.98 | QSARToolbox | 1 » 0 |
| 5.99 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | Baltruschat ChEMBL | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 6.02 | QSARToolbox | 1 » 0 |
| 6.02 | QSARToolbox | 1 » 0 |
| 6.02 | IUPAC digitized pKa | 1 » 0 |
| 6.02 | IUPAC digitized pKa | 1 » 0 |
| 6.02 | AttenGpKa training set | 1 » 0 |
| 6.03 | IUPAC digitized pKa | 1 » 0 |
| 6.03 | IUPAC digitized pKa | 1 » 0 |
| 6.03 | OCHEM | 1 » 0 |
| 6.05 | IUPAC digitized pKa | 1 » 0 |
| 6.05 | IUPAC digitized pKa | 1 » 0 |
| 6.05 | QSARToolbox | 1 » 0 |
| 6.06 | QSARToolbox | 1 » 0 |
| 6.06 | IUPAC digitized pKa | 1 » 0 |
| 6.08 | QSARToolbox | 1 » 0 |
| 6.08 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 6.11 | QSARToolbox | 1 » 0 |
| 6.14 | QSARToolbox | 1 » 0 |
| 6.14 | QSARToolbox | 1 » 0 |
| 6.15 | Datawarrior | 1 » 0 |
| 6.15 | OCHEM | 1 » 0 |
| 6.17 | QSARToolbox | 1 » 0 |
| 6.19 | IUPAC digitized pKa | 1 » 0 |
| 6.25 | QSARToolbox | 1 » 0 |
| 6.25 | QSARToolbox | 1 » 0 |
| 6.26 | QSARToolbox | 1 » 0 |
| 6.30 | QSARToolbox | 1 » 0 |
| 6.39 | QSARToolbox | 1 » 0 |
| 6.48 | QSARToolbox | 1 » 0 |
| 6.59 | QSARToolbox | 1 » 0 |
| 6.61 | QSARToolbox | 1 » 0 |
| 6.80 | QSARToolbox | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |