Chemical ID: 4152054

CC(C)C(=O)Oc1ccc2c(c1)oc(c(c2=O)c3ccccc3OC)C(F)(F)F
Chemical ID:
4152054
Name [?]:
[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate
SMILES [?]:
CC(C)C(=O)Oc1ccc2c(c1)oc(c(c2=O)c3ccccc3OC)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17F3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.90037
Area:573.626
Solvation:-4.44029
Coulombic:-61.7657
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.352
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.72
LogP (Chemaxon):4.94

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