Molecule ID: mol3914
SMILES: Cn1ccnc1
InChI: InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.26 | QSARToolbox | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | IUPAC digitized pKa | 1 » 0 |
| 6.95 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 7.00 | Baltruschat ChEMBL | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |
| 7.04 | AttenGpKa training set | 1 » 0 |
| 7.05 | QSARToolbox | 1 » 0 |
| 7.05 | QSARToolbox | 1 » 0 |
| 7.06 | OCHEM | 1 » 0 |
| 7.06 | OCHEM | 1 » 0 |
| 7.08 | OCHEM | 1 » 0 |
| 7.12 | QSARToolbox | 1 » 0 |
| 7.12 | OCHEM | 1 » 0 |
| 7.12 | Baltruschat ChEMBL | 1 » 0 |
| 7.12 | Baltruschat ChEMBL | 1 » 0 |
| 7.15 | Datawarrior | 1 » 0 |
| 7.15 | OCHEM | 1 » 0 |
| 7.19 | QSARToolbox | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.24 | QSARToolbox | 1 » 0 |
| 7.25 | IUPAC digitized pKa | 1 » 0 |
| 7.25 | QSARToolbox | 1 » 0 |
| 7.33 | QSARToolbox | 1 » 0 |