Molecule ID: mol1292
SMILES: c1cncc(CN2CCCC2)c1
InChI: InChI=1S/C10H14N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h3-5,8H,1-2,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | IUPAC digitized pKa | 2 » 1 |
| 3.14 | QSARToolbox | 2 » 1 |
| 3.20 | AttenGpKa training set | 2 » 1 |
| 8.11 | Baltruschat ChEMBL | 1 » 0 |
| 8.36 | QSARToolbox | 1 » 0 |
| 8.36 | IUPAC digitized pKa | 1 » 0 |
| 8.36 | OCHEM | 1 » 0 |
| 8.36 | Hunt | 1 » 0 |
| 8.36 | OCHEM | 1 » 0 |
| 8.36 | OCHEM | 1 » 0 |
| 8.40 | AttenGpKa training set | 1 » 0 |