Molecule

ID:93625

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClF₃
Molecular Mass
208.6080296
Exact Mass
208.0266626
Charge
0
InChI
InChI=1S/C9H8ClF3/c1-4-7(11)5(2)9(13)6(3-10)8(4)12/h3H2,1-2H3
InChIKey
VPXWPWYSDWFALC-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(F)c(C)c(c(c1F)C)F
Isomeric Smiles
Fc1c(c(c(c(c1CCl)F)C)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0154366
LogD (pH = 7.4)
4.0154366
Log P
4.0154366
Molar Refractivity
46.6565
Polarizability
16.799171
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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