Molecule

ID:32005

General Information
Structure
Molecular Formula
C₁₁H₁₃F₃
Molecular Mass
202.2161296
Exact Mass
202.09693508
Charge
0
InChI
InChI=1S/C11H13F3/c1-8-3-4-10(7-9(8)2)5-6-11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChIKey
USDQFBDQIUKGKB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)CCC(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)CCC(F)(F)F)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5928087
LogD (pH = 7.4)
4.5928087
Log P
4.5928087
Molar Refractivity
51.1669
Polarizability
18.501162
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
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Molecule Details
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References
Bioactivity
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