Molecule ID: mol4500
SMILES: Cc1nc2ccccc2n1CCC#N
InChI: InChI=1S/C11H11N3/c1-9-13-10-5-2-3-6-11(10)14(9)8-4-7-12/h2-3,5-6H,4,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |