Molecule

ID:97640

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂F₃
Molecular Mass
235.0741496
Exact Mass
234.01899037
Charge
0
InChI
InChI=1S/C8H11Cl2F3/c1-2-3-4-5-6-7(9,11)8(10,12)13/h5-6H,2-4H2,1H3
InChIKey
NEFLHKGXWFDDQU-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C(C(Cl)(F)F)(Cl)F
Isomeric Smiles
FC(C(/C=C/CCCC)(F)Cl)(F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9189687
LogD (pH = 7.4)
4.9189687
Log P
4.9189687
Molar Refractivity
50.4796
Polarizability
18.41609
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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