Chemical ID: 3987018

CCc1c(c(nn1c2cccc(c2)Br)c3ccc(cc3)F)C(=O)O
Chemical ID:
3987018
Name [?]:
1-(3-bromophenyl)-5-ethyl-3-(4-fluorophenyl)-pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2cccc(c2)Br)c3ccc(cc3)F)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14BrFN2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0058
Area:524.387
Solvation:-3.10392
Coulombic:-37.5138
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.218
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.0
LogP (Chemaxon):4.91

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