Chemical ID: 3955446

Cc1ccc2c(c1)N(C(=O)C(O2)C)Cc3cccc(c3)C(F)(F)F
Chemical ID:
3955446
Name [?]:
3,8-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)C(O2)C)Cc3cccc(c3)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16F3NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.10775
Area:488.231
Solvation:-3.09803
Coulombic:-45.9588
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:335.32
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):4.26

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