Molecule

ID:97494

General Information
Structure
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Molecular Formula
C₈H₈F₆O₂
Molecular Mass
250.1383392
Exact Mass
250.04284882
Charge
0
InChI
InChI=1S/C8H8F6O2/c1-4(2)5(15)16-3-7(10,11)6(9)8(12,13)14/h6H,1,3H2,2H3
InChIKey
DFVPUWGVOPDJTC-UHFFFAOYSA-N
Canonic Smiles
FC(C(COC(=O)C(=C)C)(F)F)C(F)(F)F
Isomeric Smiles
O(CC(F)(F)C(F)C(F)(F)F)C(=O)C(=C)C
Calculated Properties
JChem
Acid pKa
15.959187
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.224221
LogD (pH = 7.4)
3.224221
Log P
3.224221
Molar Refractivity
40.8061
Polarizability
15.461016
Polar Surface Area
26.3
Rotatable Bonds
6
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
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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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