2-Oxo-1H-Quinoline-4-Carboxylic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:52045 | |
|---|---|---|
| ChEMBL: | CHEMBL2048387 | |
| PubChem: | 85076 | |
| IUPAC: | 2-oxo-1H-quinoline-4-carboxylic acid | |
| Standard InChI: | InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14) | |
| Standard InChI Key: | MFSHNFBQNVGXJX-UHFFFAOYSA-N | |
| SMILES: | Oc1nc2ccccc2c(c1)C(=O)O | |
Molecular propeties
| ||
| AlogP: | 1.64 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 189.04 | |
| Topological polar surface area: | 66.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|