3-nitro-4-[(pyridin-2-yl)sulfanyl]benzoic acid
Chemical Structure Depiction of
3-nitro-4-[(pyridin-2-yl)sulfanyl]benzoic acid
3-nitro-4-[(pyridin-2-yl)sulfanyl]benzoic acid
Compound characteristics
| Compound ID: | 8010-9037 |
| Compound Name: | 3-nitro-4-[(pyridin-2-yl)sulfanyl]benzoic acid |
| Molecular Weight: | 276.27 |
| Molecular Formula: | C12 H8 N2 O4 S |
| Smiles: | c1ccnc(c1)Sc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.329 |
| logD: | -0.4864 |
| logSw: | -3.8021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.864 |
| InChI Key: | VHSWWOQCRUCNDE-UHFFFAOYSA-N |