4-chloro-5-[(4-nitrophenyl)sulfanyl]cyclohexane-1,2-dicarboxylic acid
Chemical Structure Depiction of
4-chloro-5-[(4-nitrophenyl)sulfanyl]cyclohexane-1,2-dicarboxylic acid
4-chloro-5-[(4-nitrophenyl)sulfanyl]cyclohexane-1,2-dicarboxylic acid
Compound characteristics
| Compound ID: | 8018-8386 |
| Compound Name: | 4-chloro-5-[(4-nitrophenyl)sulfanyl]cyclohexane-1,2-dicarboxylic acid |
| Molecular Weight: | 359.78 |
| Molecular Formula: | C14 H14 Cl N O6 S |
| Smiles: | C1C(C(CC(C1Sc1ccc(cc1)[N+]([O-])=O)[Cl])C(O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2497 |
| logD: | -0.717 |
| logSw: | -2.591 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.357 |
| InChI Key: | RMVAPMUOFNYPCC-UHFFFAOYSA-N |