Molecule

ID:98754

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₉
Molecular Mass
246.0736488
Exact Mass
246.00910408
Charge
0
InChI
InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKey
GVEUEBXMTMZVSD-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(F)(C(F)(F)C(C=C)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.959799
LogD (pH = 7.4)
3.959799
Log P
3.959799
Molar Refractivity
30.5858
Polarizability
11.312015
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
No Data Available
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Molecule Details
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References
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Bioactivity
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