Molecule

ID:93782

General Information
Structure
MolImage
Molecular Formula
C₇BrClF₄O
Molecular Mass
291.4249128
Exact Mass
289.87571718
Charge
0
InChI
InChI=1S/C7BrClF4O/c8-2-1(7(9)14)3(10)5(12)6(13)4(2)11
InChIKey
FLVURBOAHUGHCH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(F)c(F)c(c(c1Br)F)F
Isomeric Smiles
Brc1c(c(c(c(c1F)F)F)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5037189
LogD (pH = 7.4)
3.5037189
Log P
3.5037189
Molar Refractivity
45.6611
Polarizability
16.842876
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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