Molecule

ID:32007

General Information
Structure
Molecular Formula
C₁₁H₁₃F₃
Molecular Mass
202.2161296
Exact Mass
202.09693508
Charge
0
InChI
InChI=1S/C11H13F3/c1-8(2)10-5-3-9(4-6-10)7-11(12,13)14/h3-6,8H,7H2,1-2H3
InChIKey
DXHDYTBEGUNHQV-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CC(F)(F)F)C
Isomeric Smiles
c1(ccc(cc1)CC(F)(F)F)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3664064
LogD (pH = 7.4)
4.3664064
Log P
4.3664064
Molar Refractivity
50.6743
Polarizability
18.56554
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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