Molecule ID: mol5459
SMILES: CCOC(=O)CNc1cccc(C#N)c1
InChI: InChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-5-3-4-9(6-10)7-12/h3-6,13H,2,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.15 | IUPAC digitized pKa | 1 » 0 |
| 0.15 | AttenGpKa training set | 1 » 0 |