Chemical ID: 4780773

COC(=O)c1cc(n(n1)c2ccc(cc2)C(F)(F)F)O
Chemical ID:
4780773
Name [?]:
methyl 5-hydroxy-1-[4-(trifluoromethyl)phenyl]-pyrazole-3-carboxylate
SMILES [?]:
COC(=O)c1cc(n(n1)c2ccc(cc2)C(F)(F)F)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H9F3N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.46054
Area:441.389
Solvation:-3.57419
Coulombic:-60.7851
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.207
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.03
LogP (Chemaxon):2.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue