{[4-(methoxycarbonyl)-2-nitrophenyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-(methoxycarbonyl)-2-nitrophenyl]sulfanyl}acetic acid
{[4-(methoxycarbonyl)-2-nitrophenyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | K781-9588 |
| Compound Name: | {[4-(methoxycarbonyl)-2-nitrophenyl]sulfanyl}acetic acid |
| Molecular Weight: | 271.25 |
| Molecular Formula: | C10 H9 N O6 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)SCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6689 |
| logD: | -1.8174 |
| logSw: | -2.1343 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.877 |
| InChI Key: | SAEIIYOZDVRWDM-UHFFFAOYSA-N |