5-ethyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-ethyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
5-ethyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
Compound ID: | T640-0336 |
Compound Name: | 5-ethyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid |
Molecular Weight: | 285.22 |
Molecular Formula: | C12 H10 F3 N3 O2 |
Smiles: | CCc1c(C(O)=O)nnn1c1ccc(cc1)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 2.2082 |
logD: | -3.678 |
logSw: | -2.4205 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55 |
InChI Key: | GUYSLRHUZGXUGY-UHFFFAOYSA-N |