Molecule

ID:97935

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClF₃
Molecular Mass
236.6611896
Exact Mass
236.05796272
Charge
0
InChI
InChI=1S/C11H12ClF3/c1-7(2)10(11(13,14)15)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChIKey
JLUAYNLQDMKGSU-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(F)(F)F)c1ccc(cc1)Cl)C
Isomeric Smiles
FC(C(c1ccc(cc1)Cl)C(C)C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8311815
LogD (pH = 7.4)
4.8311815
Log P
4.8311815
Molar Refractivity
55.0611
Polarizability
20.599731
Polar Surface Area
0.0
Rotatable Bonds
3
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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