2-nitro-6-({2-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazinylidene}methyl)phenol
Chemical Structure Depiction of
2-nitro-6-({2-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazinylidene}methyl)phenol
2-nitro-6-({2-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazinylidene}methyl)phenol
Compound characteristics
Compound ID: | 8007-6631 |
Compound Name: | 2-nitro-6-({2-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazinylidene}methyl)phenol |
Molecular Weight: | 367.24 |
Molecular Formula: | C13 H8 F3 N7 O3 |
Smiles: | C(\c1cccc(c1O)[N+]([O-])=O)=N/Nc1ccc2nnc(C(F)(F)F)n2n1 |
Stereo: | ACHIRAL |
logP: | 2.9595 |
logD: | 2.0252 |
logSw: | -3.301 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.933 |
InChI Key: | DPXGUHGQKDAQQN-UHFFFAOYSA-N |