4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoic acid
4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K670-0017 |
| Compound Name: | 4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoic acid |
| Molecular Weight: | 309.73 |
| Molecular Formula: | C13 H8 Cl N O4 S |
| Smiles: | c1cc(cc(c1)[Cl])Sc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7897 |
| logD: | 0.9743 |
| logSw: | -4.6485 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.456 |
| InChI Key: | ZGXGPXREDXWQPM-UHFFFAOYSA-N |