Molecule ID: mol3900
SMILES: c1c[nH]cn1
InChI: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | QSARToolbox | 1 » 0 |
| 6.10 | QSARToolbox | 1 » 0 |
| 6.28 | QSARToolbox | 1 » 0 |
| 6.45 | QSARToolbox | 1 » 0 |
| 6.50 | IUPAC digitized pKa | 1 » 0 |
| 6.57 | QSARToolbox | 1 » 0 |
| 6.59 | IUPAC digitized pKa | 1 » 0 |
| 6.68 | QSARToolbox | 1 » 0 |
| 6.68 | IUPAC digitized pKa | 1 » 0 |
| 6.78 | QSARToolbox | 1 » 0 |
| 6.78 | IUPAC digitized pKa | 1 » 0 |
| 6.79 | QSARToolbox | 1 » 0 |
| 6.89 | IUPAC digitized pKa | 1 » 0 |
| 6.90 | IUPAC digitized pKa | 1 » 0 |
| 6.92 | IUPAC digitized pKa | 1 » 0 |
| 6.92 | IUPAC digitized pKa | 1 » 0 |
| 6.92 | QSARToolbox | 1 » 0 |
| 6.92 | QSARToolbox | 1 » 0 |
| 6.93 | QSARToolbox | 1 » 0 |
| 6.93 | QSARToolbox | 1 » 0 |
| 6.93 | IUPAC digitized pKa | 1 » 0 |
| 6.94 | OCHEM | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | Baltruschat ChEMBL | 1 » 0 |
| 6.95 | IUPAC digitized pKa | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.98 | AttenGpKa training set | 1 » 0 |
| 6.99 | OCHEM | 1 » 0 |
| 6.99 | OCHEM | 1 » 0 |
| 6.99 | OCHEM | 1 » 0 |
| 6.99 | Baltruschat ChEMBL | 1 » 0 |
| 6.99 | Baltruschat ChEMBL | 1 » 0 |
| 6.99 | IUPAC digitized pKa | 1 » 0 |
| 7.00 | IUPAC digitized pKa | 1 » 0 |
| 7.00 | OCHEM | 1 » 0 |
| 7.00 | Baltruschat ChEMBL | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |
| 7.03 | QSARToolbox | 1 » 0 |
| 7.07 | Datawarrior | 1 » 0 |
| 7.07 | OCHEM | 1 » 0 |
| 7.08 | IUPAC digitized pKa | 1 » 0 |
| 7.09 | IUPAC digitized pKa | 1 » 0 |
| 7.09 | QSARToolbox | 1 » 0 |
| 7.10 | QSARToolbox | 1 » 0 |
| 7.10 | IUPAC digitized pKa | 1 » 0 |
| 7.10 | IUPAC digitized pKa | 1 » 0 |
| 7.11 | IUPAC digitized pKa | 1 » 0 |
| 7.11 | QSARToolbox | 1 » 0 |
| 7.12 | QSARToolbox | 1 » 0 |
| 7.12 | IUPAC digitized pKa | 1 » 0 |
| 7.12 | IUPAC digitized pKa | 1 » 0 |
| 7.13 | QSARToolbox | 1 » 0 |
| 7.14 | Baltruschat ChEMBL | 1 » 0 |
| 7.15 | IUPAC digitized pKa | 1 » 0 |
| 7.16 | QSARToolbox | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.22 | IUPAC digitized pKa | 1 » 0 |
| 7.27 | IUPAC digitized pKa | 1 » 0 |
| 7.31 | IUPAC digitized pKa | 1 » 0 |
| 7.33 | IUPAC digitized pKa | 1 » 0 |
| 7.45 | IUPAC digitized pKa | 1 » 0 |
| 7.50 | IUPAC digitized pKa | 1 » 0 |
| 7.58 | IUPAC digitized pKa | 1 » 0 |
| 7.60 | IUPAC digitized pKa | 1 » 0 |
| 7.63 | IUPAC digitized pKa | 1 » 0 |
| 12.70 | QSARToolbox | 0 » -1 |
| 12.70 | QSARToolbox | 0 » -1 |
| 14.02 | IUPAC digitized pKa | 0 » -1 |
| 14.17 | IUPAC digitized pKa | 0 » -1 |
| 14.35 | AttenGpKa training set | 0 » -1 |
| 14.43 | IUPAC digitized pKa | 0 » -1 |
| 14.43 | QSARToolbox | 0 » -1 |
| 14.44 | IUPAC digitized pKa | 0 » -1 |
| 14.47 | Datawarrior | 0 » -1 |
| 14.47 | OCHEM | 0 » -1 |
| 14.50 | OCHEM | 0 » -1 |
| 14.52 | IUPAC digitized pKa | 0 » -1 |
| 14.52 | Baltruschat ChEMBL | 0 » -1 |
| 14.52 | QSARToolbox | 0 » -1 |
| 14.52 | QSARToolbox | 0 » -1 |
| 14.89 | IUPAC digitized pKa | 0 » -1 |