Molecule
ID:6447
General Information
Molecular Formula
C₁₁F₂₀
Molecular Mass
512.085764
Exact Mass
511.9680644
Charge
0
InChI
InChI=1S/C11F20/c12-1-2(13,6(19,20)10(27,28)9(25,26)4(1,15)16)5(17,18)8(23,24)7(21,22)3(1,14)11(29,30)31
InChIKey
LWRNQOBXRHWPGE-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C(F)(F)C(F)(F)C(C2(C1(F)C(F)(F)C(C(C2(F)C(F)(F)F)(F)F)(F)F)F)(F)F
Isomeric Smiles
C1(C(C(C2(C(C1(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(C(F)(F)F)F)F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.241647
LogD (pH = 7.4)
6.241647
Log P
6.241647
Molar Refractivity
48.6371
Polarizability
20.165873
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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