4-nitro-2-(5-nitro-1H-benzimidazol-2-yl)phenol
Chemical Structure Depiction of
4-nitro-2-(5-nitro-1H-benzimidazol-2-yl)phenol
4-nitro-2-(5-nitro-1H-benzimidazol-2-yl)phenol
Compound characteristics
Compound ID: | 1235-0021 |
Compound Name: | 4-nitro-2-(5-nitro-1H-benzimidazol-2-yl)phenol |
Molecular Weight: | 300.23 |
Molecular Formula: | C13 H8 N4 O5 |
Smiles: | c1cc(c(cc1[N+]([O-])=O)c1nc2cc(ccc2[nH]1)[N+]([O-])=O)O |
Stereo: | ACHIRAL |
logP: | 3.418 |
logD: | 2.9557 |
logSw: | -3.4941 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.569 |
InChI Key: | RRGHTLYUKZWSNJ-UHFFFAOYSA-N |