Molecule

ID:13772

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂F₃
Molecular Mass
229.0265096
Exact Mass
227.97204018
Charge
0
InChI
InChI=1S/C8H5Cl2F3/c1-4-2-6(9)7(10)3-5(4)8(11,12)13/h2-3H,1H3
InChIKey
OARYHYOOIUIKFZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)c(cc1C(F)(F)F)Cl
Isomeric Smiles
c1(cc(c(cc1C(F)(F)F)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.572605
LogD (pH = 7.4)
4.572605
Log P
4.572605
Molar Refractivity
46.6825
Polarizability
17.223297
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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