Molecule ID: mol5202
SMILES: c1cncc(C2=NCCC2)c1
InChI: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.23 | Baltruschat ChEMBL | 1 » 0 |
| 5.26 | IUPAC digitized pKa | 1 » 0 |
| 5.50 | Baltruschat ChEMBL | 1 » 0 |
| 8.77 | Datawarrior | 1 » 0 |
| 8.77 | QSARToolbox | 1 » 0 |
| 8.77 | OCHEM | 1 » 0 |