Molecule

ID:29771

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃
Molecular Mass
202.2161296
Exact Mass
202.09693508
Charge
0
InChI
InChI=1S/C11H13F3/c1-7-4-8(2)10(9(3)5-7)6-11(12,13)14/h4-5H,6H2,1-3H3
InChIKey
RYZANYPGDKSQAZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)CC(F)(F)F
Isomeric Smiles
c1(c(c(cc(c1)C)C)CC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6616616
LogD (pH = 7.4)
4.6616616
Log P
4.6616616
Molar Refractivity
51.6071
Polarizability
18.425045
Polar Surface Area
0.0
Rotatable Bonds
2
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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