5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one
5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one
Compound characteristics
Compound ID: | 6192-0017 |
Compound Name: | 5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one |
Molecular Weight: | 289.26 |
Molecular Formula: | C13 H7 N O5 S |
Smiles: | c1cc(ccc1c1cc(cc2c1OC(=O)S2)O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.4206 |
logD: | 3.4164 |
logSw: | -3.9119 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.722 |
InChI Key: | NGGKZEUPYOGAHM-UHFFFAOYSA-N |