2-(ethylsulfanyl)-4-nitrobenzoic acid
Chemical Structure Depiction of
2-(ethylsulfanyl)-4-nitrobenzoic acid
2-(ethylsulfanyl)-4-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8012-6919 |
| Compound Name: | 2-(ethylsulfanyl)-4-nitrobenzoic acid |
| Molecular Weight: | 227.24 |
| Molecular Formula: | C9 H9 N O4 S |
| Smiles: | CCSc1cc(ccc1C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7739 |
| logD: | -0.5767 |
| logSw: | -3.0653 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.028 |
| InChI Key: | WQYAONRUQVQXHA-UHFFFAOYSA-N |