Chemical ID: 5289974

COc1ccc(c(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccc(cc4)F
Chemical ID:
5289974
Name [?]:
[3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-6-yl] 4-fluorobenzoate
SMILES [?]:
COc1ccc(c(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H19FO7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.46397
Area:661.108
Solvation:-7.06372
Coulombic:-63.788
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:450.413
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.64
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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