Molecule ID: mol358
SMILES: O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
InChI: InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | Baltruschat ChEMBL | 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 |