Molecule

ID:98683

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁F₇
Molecular Mass
252.1724624
Exact Mass
252.07489789
Charge
0
InChI
InChI=1S/C9H11F7/c1-2-3-4-5-6-7(10,11)8(12,13)9(14,15)16/h5-6H,2-4H2,1H3
InChIKey
DZBBLQUHQSLWOV-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(C(/C=C/CCCC)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9794974
LogD (pH = 7.4)
4.9794974
Log P
4.9794974
Molar Refractivity
45.3943
Polarizability
16.12726
Polar Surface Area
0.0
Rotatable Bonds
6
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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