1-Oxo-2H-Isoquinoline-4-Carboxylic Acid
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1483323 | |
| PubChem: | 643161 | |
| IUPAC: | 1-oxo-2H-isoquinoline-4-carboxylic acid | |
| Standard InChI: | InChI=1S/C10H7NO3/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-5H,(H,11,12)(H,13,14) | |
| Standard InChI Key: | IMEDZEDITFIMAK-UHFFFAOYSA-N | |
| SMILES: | OC(=O)c1cnc(c2c1cccc2)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 | |