Molecule ID: mol19470
SMILES: COC(=O)Cc1ccc(O)c2ncccc12
InChI: InChI=1S/C12H11NO3/c1-16-11(15)7-8-4-5-10(14)12-9(8)3-2-6-13-12/h2-6,14H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 1 » 0 |
| 4.72 | Baltruschat ChEMBL | 1 » 0 |
| 9.46 | Baltruschat ChEMBL | 0 » -1 |