Molecule

ID:100620

General Information
Structure
MolImage
Molecular Formula
C₉F₁₂
Molecular Mass
336.0771384
Exact Mass
335.98083864
Charge
0
InChI
InChI=1S/C9F12/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18
InChIKey
QWZHVIDXHYBBDU-UHFFFAOYSA-N
Canonic Smiles
Fc1c(c(F)c(c(c1C(F)(F)F)F)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(c(c(c(c1F)C(F)(F)F)F)C(F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.034897
LogD (pH = 7.4)
5.034897
Log P
5.034897
Molar Refractivity
44.6283
Polarizability
15.3870125
Polar Surface Area
0.0
Rotatable Bonds
3
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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