Molecule ID: mol4506
SMILES: CN(C)c1nc2ccccc2[nH]1
InChI: InChI=1S/C9H11N3/c1-12(2)9-10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | IUPAC digitized pKa | 1 » 0 |
| 11.50 | IUPAC digitized pKa | 0 » -1 |
| 11.50 | AttenGpKa training set | 0 » -1 |