4-[(2-carboxyphenyl)sulfanyl]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[(2-carboxyphenyl)sulfanyl]-3-nitrobenzoic acid
4-[(2-carboxyphenyl)sulfanyl]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K784-1803 |
| Compound Name: | 4-[(2-carboxyphenyl)sulfanyl]-3-nitrobenzoic acid |
| Molecular Weight: | 319.29 |
| Molecular Formula: | C14 H9 N O6 S |
| Smiles: | c1ccc(c(c1)C(O)=O)Sc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0022 |
| logD: | -0.2854 |
| logSw: | -4.2381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.864 |
| InChI Key: | FVMQSMJTJFRWBR-UHFFFAOYSA-N |