4-(2-carboxybenzene-1-sulfonyl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(2-carboxybenzene-1-sulfonyl)-3-nitrobenzoic acid
4-(2-carboxybenzene-1-sulfonyl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K783-2911 |
| Compound Name: | 4-(2-carboxybenzene-1-sulfonyl)-3-nitrobenzoic acid |
| Molecular Weight: | 351.29 |
| Molecular Formula: | C14 H9 N O8 S |
| Smiles: | c1ccc(c(c1)C(O)=O)S(c1ccc(cc1[N+]([O-])=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3927 |
| logD: | -2.1768 |
| logSw: | -2.6436 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.636 |
| InChI Key: | LYRIMMZBEXVPMO-UHFFFAOYSA-N |