Molecule ID: mol7128
SMILES: c1ccc(CNc2ncccn2)cc1
InChI: InChI=1S/C11H11N3/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h1-8H,9H2,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.55 | IUPAC digitized pKa | 1 » 0 |
| 3.56 | AttenGpKa training set | 1 » 0 |