4-chloro-3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-chloro-3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}benzoic acid
4-chloro-3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3970-1350 |
| Compound Name: | 4-chloro-3-{5-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 378.77 |
| Molecular Formula: | C21 H11 Cl O5 |
| Smiles: | C(=C1C(c2ccccc2C1=O)=O)c1ccc(c2cc(ccc2[Cl])C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0895 |
| logD: | 1.718 |
| logSw: | -5.0366 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.524 |
| InChI Key: | WKUBVCYWAIZGJE-UHFFFAOYSA-N |