4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoic acid
4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-2081 |
| Compound Name: | 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoic acid |
| Molecular Weight: | 285.27 |
| Molecular Formula: | C11 H11 N O6 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6432 |
| logD: | -1.1723 |
| logSw: | -2.8495 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.886 |
| InChI Key: | JFFSVJCOFFOCKB-UHFFFAOYSA-N |