Molecule ID: mol350
SMILES: Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1
InChI: InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | Baltruschat ChEMBL | 0 » -1 |
| 3.50 | Baltruschat ChEMBL | 0 » -1 |
| 3.50 | Settimo | 0 » -1 |
| 3.50 | Settimo | 0 » -1 |
| 3.50 | AttenGpKa training set | 0 » -1 |