Chemical ID: 5268797

c1cc(cc(c1)Br)C=C2C(=O)c3ccc(cc3O2)O
Chemical ID:
5268797
Name [?]:
2-[(3-bromophenyl)methylene]-6-hydroxy-benzofuran-3-one
SMILES [?]:
c1cc(cc(c1)Br)C=C2C(=O)c3ccc(cc3O2)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H9BrO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.17697
Area:437.877
Solvation:-2.76995
Coulombic:-34.5111
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:317.134
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):3.84

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