Molecule
ID:66097
General Information
Molecular Formula
C₁₀H₁₁F₃
Molecular Mass
188.1895496
Exact Mass
188.08128501
Charge
0
InChI
InChI=1S/C10H11F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h4-7H,2-3H2,1H3
InChIKey
OKXWTILSPGNEBA-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1)CCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.253653
LogD (pH = 7.4)
4.253653
Log P
4.253653
Molar Refractivity
46.2749
Polarizability
16.814234
Polar Surface Area
0.0
Rotatable Bonds
3
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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