Chemical ID: 4402477

COc1ccc(cc1OC)C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3Br)F
Chemical ID:
4402477
Name [?]:
[2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoro-phenyl] 2-bromobenzoate
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3Br)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H18BrFO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.27399
Area:616.541
Solvation:-7.13954
Coulombic:-46.2872
Bond Count [?]
All:33
Single:21
Double:12
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:485.299
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.87
LogP (Chemaxon):5.67

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