Molecule ID: mol3592
SMILES: c1cncc([C@@H]2CCCCN2)c1
InChI: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | IUPAC digitized pKa | 2 » 1 |
| 3.21 | OCHEM | 2 » 1 |
| 3.21 | OCHEM | 2 » 1 |
| 4.81 | QSARToolbox | 2 » 1 |
| 8.48 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | Baltruschat ChEMBL | 1 » 0 |
| 11.00 | OCHEM | 1 » 0 |