Molecule

ID:18474

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃
Molecular Mass
186.1736696
Exact Mass
186.06563495
Charge
0
InChI
InChI=1S/C10H9F3/c11-10(12,13)9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
RBZAHILDWCBKFX-UHFFFAOYSA-N
Canonic Smiles
FC(C1(CC1)c1ccccc1)(F)F
Isomeric Smiles
C1CC1(c1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4190032
LogD (pH = 7.4)
3.4190032
Log P
3.4190032
Molar Refractivity
43.8542
Polarizability
16.126364
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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