Molecule ID: mol17508
SMILES: O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChI: InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | Baltruschat ChEMBL | 0 » -1 |
| 5.80 | Baltruschat ChEMBL | 0 » -1 |