Molecule

ID:32141

General Information
Structure
Molecular Formula
C₁₀H₉F₅
Molecular Mass
224.170476
Exact Mass
224.06244139
Charge
0
InChI
InChI=1S/C10H9F5/c1-2-9(11,12)7-3-5-8(6-4-7)10(13,14)15/h3-6H,2H2,1H3
InChIKey
XIKSDVGFTYYPQH-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)C(F)(F)F)(F)F
Isomeric Smiles
c1cc(ccc1C(F)(F)F)C(CC)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1251183
LogD (pH = 7.4)
4.1251183
Log P
4.1251183
Molar Refractivity
46.6063
Polarizability
16.67802
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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