Molecule

ID:32085

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClF₃
Molecular Mass
208.6080296
Exact Mass
208.0266626
Charge
0
InChI
InChI=1S/C9H8ClF3/c1-5-3-4-6(11)7(8(5)10)9(2,12)13/h3-4H,1-2H3
InChIKey
PKYXSNWBQUFFHN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1C(F)(F)C)Cl)C
Isomeric Smiles
c1c(c(c(c(c1)C)Cl)C(C)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8705645
LogD (pH = 7.4)
3.8705645
Log P
3.8705645
Molar Refractivity
46.2262
Polarizability
16.96737
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
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Molecule Details
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References
Bioactivity
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