5-nitro-2-[(pyridin-2-yl)sulfanyl]benzoic acid
Chemical Structure Depiction of
5-nitro-2-[(pyridin-2-yl)sulfanyl]benzoic acid
5-nitro-2-[(pyridin-2-yl)sulfanyl]benzoic acid
Compound characteristics
| Compound ID: | 8016-2633 |
| Compound Name: | 5-nitro-2-[(pyridin-2-yl)sulfanyl]benzoic acid |
| Molecular Weight: | 276.27 |
| Molecular Formula: | C12 H8 N2 O4 S |
| Smiles: | c1ccnc(c1)Sc1ccc(cc1C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.846 |
| logD: | -1.353 |
| logSw: | -3.4087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.165 |
| InChI Key: | NCXBAMZFFDFXKM-UHFFFAOYSA-N |