N-(2H-1,3-benzodioxol-5-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-nitrobenzamide
N-(2H-1,3-benzodioxol-5-yl)-3-nitrobenzamide
Compound characteristics
Compound ID: | Y203-9757 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-nitrobenzamide |
Molecular Weight: | 286.24 |
Molecular Formula: | C14 H10 N2 O5 |
Smiles: | C1Oc2ccc(cc2O1)NC(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7999 |
logD: | 2.7817 |
logSw: | -3.3511 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.827 |
InChI Key: | CZTTZOLGZQENTA-UHFFFAOYSA-N |