Molecule
ID:32137
General Information
Molecular Formula
C₁₀H₁₂F₂
Molecular Mass
170.1990864
Exact Mass
170.09070682
Charge
0
InChI
InChI=1S/C10H12F2/c1-8-3-5-9(6-4-8)7-10(2,11)12/h3-6H,7H2,1-2H3
InChIKey
RRVKGZQWHWOJNC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CC(F)(F)C
Isomeric Smiles
FC(F)(C)Cc1ccc(C)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1837776
LogD (pH = 7.4)
3.1837776
Log P
3.1837776
Molar Refractivity
46.0704
Polarizability
16.936182
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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