Molecule

ID:7721

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃F₂₁
Molecular Mass
546.1186872
Exact Mass
545.98994272
Charge
0
InChI
InChI=1S/C12H3F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2
InChIKey
UCHSAVGOZUCXHC-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.163655
LogD (pH = 7.4)
8.163655
Log P
8.163655
Molar Refractivity
58.5938
Polarizability
22.782454
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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