Chemical ID: 4135554

c1cc(ccc1c2c(cn(n2)c3ccc(cc3F)F)C=O)F
Chemical ID:
4135554
Name [?]:
1-(2,4-difluorophenyl)-3-(4-fluorophenyl)-pyrazole-4-carbaldehyde
SMILES [?]:
c1cc(ccc1c2c(cn(n2)c3ccc(cc3F)F)C=O)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H9F3N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.59185
Area:460.153
Solvation:-5.91196
Coulombic:-21.7117
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.251
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.12
LogP (Chemaxon):4.18

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