2-[(3-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-[(3-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | P773-1239 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 297.28 |
| Molecular Formula: | C17 H12 F N O3 |
| Smiles: | C(c1cccc(c1)F)N1C=C(C(O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.5513 |
| logD: | -2.7535 |
| logSw: | -2.1982 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.608 |
| InChI Key: | XDOUHAMTJQZKQD-UHFFFAOYSA-N |