Chemical ID: 5271798

c1cc(ccc1COc2ccc3c(c2)OC(=Cc4ccncc4)C3=O)Br
Chemical ID:
5271798
Name [?]:
6-[(4-bromophenyl)methoxy]-2-(4-pyridylmethylene)benzofuran-3-one
SMILES [?]:
c1cc(ccc1COc2ccc3c(c2)OC(=Cc4ccncc4)C3=O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H14BrNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5029
Area:578.969
Solvation:-3.97135
Coulombic:-30.7818
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:408.245
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):4.34

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