4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid
Chemical Structure Depiction of
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K670-0002 |
| Compound Name: | 4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid |
| Molecular Weight: | 341.74 |
| Molecular Formula: | C14 H9 Cl F N O4 S |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7832 |
| logD: | 0.9677 |
| logSw: | -4.5796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.456 |
| InChI Key: | IVSPDYYTDQQDEF-UHFFFAOYSA-N |