Chemical ID: 4152561

CCCCOc1ccc2c(c1)oc(c(c2=O)c3ccc(cc3)Cl)C(F)(F)F
Chemical ID:
4152561
Name [?]:
7-butoxy-3-(4-chlorophenyl)-2-(trifluoromethyl)chromen-4-one
SMILES [?]:
CCCCOc1ccc2c(c1)oc(c(c2=O)c3ccc(cc3)Cl)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16ClF3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5994
Area:574.273
Solvation:-3.75738
Coulombic:-44.9898
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.787
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.36
LogP (Chemaxon):5.97

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