Molecule ID: mol6717
SMILES: CC(=O)OC1CC(c2ccccc2)=NO1
InChI: InChI=1S/C11H11NO3/c1-8(13)14-11-7-10(12-15-11)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.67 | IUPAC digitized pKa | 1 » 0 |
| -3.67 | AttenGpKa training set | 1 » 0 |