Molecule

ID:10331

General Information
Structure
Molecular Formula
C₁₂H₅F₂₁
Molecular Mass
548.1345672
Exact Mass
548.00559278
Charge
0
InChI
InChI=1S/C12H5F21/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/h2H2,1H3
InChIKey
HUPGRQWHZOWFPQ-UHFFFAOYSA-N
Canonic Smiles
CCC(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(CC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.0830345
LogD (pH = 7.4)
8.0830345
Log P
8.0830345
Molar Refractivity
58.8141
Polarizability
23.032291
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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