Molecule ID: mol2310
SMILES: c1ccc(CC2=NCCN2)cc1
InChI: InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.30 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.30 | AttenGpKa training set | 1 » 0 |
| 10.37 | IUPAC digitized pKa | 1 » 0 |
| 10.70 | Hunt | 1 » 0 |