1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}ethan-1-one
1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-7691 |
| Compound Name: | 1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}ethan-1-one |
| Molecular Weight: | 307.75 |
| Molecular Formula: | C14 H10 Cl N O3 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5776 |
| logD: | 4.5776 |
| logSw: | -4.8499 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.874 |
| InChI Key: | WQWKNHMUSMKWBF-UHFFFAOYSA-N |