Molecule

ID:70432

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂F₂
Molecular Mass
158.1883864
Exact Mass
158.09070682
Charge
0
InChI
InChI=1S/C9H12F2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2
InChIKey
KLUUNJKFMSNFBP-UHFFFAOYSA-N
Canonic Smiles
FC(=CC1CC2CC1CC2)F
Isomeric Smiles
C12C(CC(CC1)C2)C=C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9399052
LogD (pH = 7.4)
2.9399052
Log P
2.9399052
Molar Refractivity
50.6233
Polarizability
15.068033
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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