Molecule ID: mol351
SMILES: Cc1cccc(Nc2ccccc2C(=O)O)c1C
InChI: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | Baltruschat ChEMBL | 1 » 0 |
| 4.20 | AttenGpKa training set | 1 » 0 |
| 4.22 | OCHEM | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 4.50 | Settimo | 1 » 0 |
| 4.50 | Settimo | 1 » 0 |