Molecule

ID:8493

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₃
Molecular Mass
174.1629696
Exact Mass
174.06563495
Charge
0
InChI
InChI=1S/C9H9F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
NLMURJDGDBEMAB-UHFFFAOYSA-N
Canonic Smiles
FC(CCc1ccccc1)(F)F
Isomeric Smiles
c1cccc(c1)CCC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5659661
LogD (pH = 7.4)
3.5659661
Log P
3.5659661
Molar Refractivity
41.0845
Polarizability
15.020408
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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