Molecule
ID:66083
General Information
Molecular Formula
C₉H₉F₃
Molecular Mass
174.1629696
Exact Mass
174.06563495
Charge
0
InChI
InChI=1S/C9H9F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
LXYXDDCJRHYYKF-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)c1ccccc1
Isomeric Smiles
c1(ccccc1)C(C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4955492
LogD (pH = 7.4)
3.4955492
Log P
3.4955492
Molar Refractivity
41.1067
Polarizability
15.014227
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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