Molecule

ID:29959

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃
Molecular Mass
202.2161296
Exact Mass
202.09693508
Charge
0
InChI
InChI=1S/C11H13F3/c1-2-9-3-5-10(6-4-9)7-8-11(12,13)14/h3-6H,2,7-8H2,1H3
InChIKey
CVIOHYXZHXXAIB-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)CCC(F)(F)F
Isomeric Smiles
c1(ccc(cc1)CCC(F)(F)F)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5239563
LogD (pH = 7.4)
4.5239563
Log P
4.5239563
Molar Refractivity
50.7267
Polarizability
18.571709
Polar Surface Area
0.0
Rotatable Bonds
4
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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