4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid
Chemical Structure Depiction of
4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid
4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K670-0005 |
| Compound Name: | 4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid |
| Molecular Weight: | 323.75 |
| Molecular Formula: | C14 H10 Cl N O4 S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3513 |
| logD: | 0.5358 |
| logSw: | -4.5422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.456 |
| InChI Key: | YLWSQISTLHMKSL-UHFFFAOYSA-N |