Molecule

ID:94173

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁BrClF₃
Molecular Mass
279.5251496
Exact Mass
277.96847469
Charge
0
InChI
InChI=1S/C8H11BrClF3/c1-2-3-4-5-6-7(10,11)8(9,12)13/h5-6H,2-4H2,1H3
InChIKey
HBFAGZRUEZHODB-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C(C(Br)(F)F)(Cl)F
Isomeric Smiles
BrC(F)(F)C(/C=C/CCCC)(F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.069341
LogD (pH = 7.4)
5.069341
Log P
5.069341
Molar Refractivity
53.2881
Polarizability
19.538618
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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