Chemical ID: 4151306

CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc3ccc(cc3)OC)C(F)(F)F
Chemical ID:
4151306
Name [?]:
ethyl 2-[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc3ccc(cc3)OC)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17F3O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.22895
Area:622.667
Solvation:-7.33773
Coulombic:-75.9159
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.351
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.38
LogP (Chemaxon):3.66

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