Molecule
ID:32134
General Information
Molecular Formula
C₉H₉F₃
Molecular Mass
174.1629696
Exact Mass
174.06563495
Charge
0
InChI
InChI=1S/C9H9F3/c1-2-9(11,12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
PQFQXDJYBCAPDB-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1F)(F)F
Isomeric Smiles
FC(F)(CC)c1c(cccc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3899715
LogD (pH = 7.4)
3.3899715
Log P
3.3899715
Molar Refractivity
40.849
Polarizability
15.041016
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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