4-{5-[3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
4-{5-[3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3681-3301 |
| Compound Name: | 4-{5-[3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid |
| Molecular Weight: | 437.79 |
| Molecular Formula: | C21 H12 Cl N3 O6 |
| Smiles: | C(=C(/C#N)C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)/c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8602 |
| logD: | 1.1324 |
| logSw: | -4.6884 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.444 |
| InChI Key: | NUDOJONHRJASAX-UHFFFAOYSA-N |