5-hydroxy-7-(2-nitrophenyl)-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
5-hydroxy-7-(2-nitrophenyl)-2H-1,3-benzoxathiol-2-one
5-hydroxy-7-(2-nitrophenyl)-2H-1,3-benzoxathiol-2-one
Compound characteristics
| Compound ID: | 6192-0015 |
| Compound Name: | 5-hydroxy-7-(2-nitrophenyl)-2H-1,3-benzoxathiol-2-one |
| Molecular Weight: | 289.26 |
| Molecular Formula: | C13 H7 N O5 S |
| Smiles: | c1ccc(c(c1)c1cc(cc2c1OC(=O)S2)O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8674 |
| logD: | 2.8636 |
| logSw: | -3.7465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.421 |
| InChI Key: | PKCIITVQCFGKJK-UHFFFAOYSA-N |