Molecule
ID:98086
General Information
Molecular Formula
C₆H₅F₉
Molecular Mass
248.0895288
Exact Mass
248.02475414
Charge
0
InChI
InChI=1S/C6H5F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H2,1H3
InChIKey
RTGGFPLAKRCINA-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(C(F)(F)C(F)(CC)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8791783
LogD (pH = 7.4)
3.8791783
Log P
3.8791783
Molar Refractivity
30.8061
Polarizability
11.565012
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
No Data Available
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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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