Molecule ID: mol8738
SMILES: NC(=O)c1ccc2ccccc2c1
InChI: InChI=1S/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.95 | IUPAC digitized pKa | 1 » 0 |
| -1.84 | AttenGpKa training set | 1 » 0 |