Molecule ID: mol3597
SMILES: c1ccncc1
InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | QSARToolbox | 1 » 0 |
| 3.15 | QSARToolbox | 1 » 0 |
| 3.21 | QSARToolbox | 1 » 0 |
| 3.29 | QSARToolbox | 1 » 0 |
| 3.40 | QSARToolbox | 1 » 0 |
| 3.71 | QSARToolbox | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 4.38 | QSARToolbox | 1 » 0 |
| 4.45 | QSARToolbox | 1 » 0 |
| 4.66 | QSARToolbox | 1 » 0 |
| 4.69 | QSARToolbox | 1 » 0 |
| 4.87 | IUPAC digitized pKa | 1 » 0 |
| 4.89 | IUPAC digitized pKa | 1 » 0 |
| 4.94 | IUPAC digitized pKa | 1 » 0 |
| 4.95 | IUPAC digitized pKa | 1 » 0 |
| 4.99 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.06 | QSARToolbox | 1 » 0 |
| 5.07 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | QSARToolbox | 1 » 0 |
| 5.12 | IUPAC digitized pKa | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.14 | QSARToolbox | 1 » 0 |
| 5.14 | QSARToolbox | 1 » 0 |
| 5.15 | QSARToolbox | 1 » 0 |
| 5.15 | QSARToolbox | 1 » 0 |
| 5.16 | QSARToolbox | 1 » 0 |
| 5.16 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | Baltruschat ChEMBL | 1 » 0 |
| 5.17 | Baltruschat ChEMBL | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 5.18 | QSARToolbox | 1 » 0 |
| 5.18 | QSARToolbox | 1 » 0 |
| 5.18 | QSARToolbox | 1 » 0 |
| 5.18 | QSARToolbox | 1 » 0 |
| 5.18 | IUPAC digitized pKa | 1 » 0 |
| 5.19 | IUPAC digitized pKa | 1 » 0 |
| 5.19 | IUPAC digitized pKa | 1 » 0 |
| 5.19 | QSARToolbox | 1 » 0 |
| 5.19 | QSARToolbox | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | Baltruschat ChEMBL | 1 » 0 |
| 5.20 | Baltruschat ChEMBL | 1 » 0 |
| 5.20 | Baltruschat ChEMBL | 1 » 0 |
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.21 | IUPAC digitized pKa | 1 » 0 |
| 5.21 | OCHEM | 1 » 0 |
| 5.21 | AttenGpKa training set | 1 » 0 |
| 5.21 | QSARToolbox | 1 » 0 |
| 5.22 | QSARToolbox | 1 » 0 |
| 5.22 | IUPAC digitized pKa | 1 » 0 |
| 5.22 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | OCHEM | 1 » 0 |
| 5.23 | OCHEM | 1 » 0 |
| 5.23 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.23 | Baltruschat ChEMBL | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |
| 5.24 | QSARToolbox | 1 » 0 |
| 5.25 | IUPAC digitized pKa | 1 » 0 |
| 5.25 | IUPAC digitized pKa | 1 » 0 |
| 5.25 | IUPAC digitized pKa | 1 » 0 |
| 5.25 | Baltruschat ChEMBL | 1 » 0 |
| 5.25 | QSARToolbox | 1 » 0 |
| 5.26 | Datawarrior | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |
| 5.27 | IUPAC digitized pKa | 1 » 0 |
| 5.27 | QSARToolbox | 1 » 0 |
| 5.27 | IUPAC digitized pKa | 1 » 0 |
| 5.27 | IUPAC digitized pKa | 1 » 0 |
| 5.28 | IUPAC digitized pKa | 1 » 0 |
| 5.28 | IUPAC digitized pKa | 1 » 0 |
| 5.29 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.31 | QSARToolbox | 1 » 0 |
| 5.31 | QSARToolbox | 1 » 0 |
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.32 | QSARToolbox | 1 » 0 |
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.33 | QSARToolbox | 1 » 0 |
| 5.33 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.35 | QSARToolbox | 1 » 0 |
| 5.37 | QSARToolbox | 1 » 0 |
| 5.37 | IUPAC digitized pKa | 1 » 0 |
| 5.38 | IUPAC digitized pKa | 1 » 0 |
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.43 | IUPAC digitized pKa | 1 » 0 |
| 5.44 | IUPAC digitized pKa | 1 » 0 |
| 5.45 | QSARToolbox | 1 » 0 |
| 5.45 | QSARToolbox | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.54 | IUPAC digitized pKa | 1 » 0 |
| 5.59 | QSARToolbox | 1 » 0 |
| 5.64 | QSARToolbox | 1 » 0 |
| 5.72 | QSARToolbox | 1 » 0 |
| 5.82 | QSARToolbox | 1 » 0 |
| 5.82 | QSARToolbox | 1 » 0 |
| 5.94 | QSARToolbox | 1 » 0 |
| 8.14 | QSARToolbox | 1 » 0 |
| 8.65 | QSARToolbox | 1 » 0 |
| 8.75 | QSARToolbox | 1 » 0 |
| 8.77 | QSARToolbox | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.84 | QSARToolbox | 1 » 0 |
| 8.85 | QSARToolbox | 1 » 0 |
| 8.88 | QSARToolbox | 1 » 0 |
| 8.97 | QSARToolbox | 1 » 0 |