Molecule

ID:7717

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₈O₂
Molecular Mass
300.1458456
Exact Mass
300.03965526
Charge
0
InChI
InChI=1S/C9H8F8O2/c1-4(2)5(18)19-3-7(12,13)9(16,17)8(14,15)6(10)11/h6H,1,3H2,2H3
InChIKey
ZNJXRXXJPIFFAO-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)C(=O)C(=C)C
Calculated Properties
JChem
Acid pKa
19.789541
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.875989
LogD (pH = 7.4)
3.875989
Log P
3.875989
Molar Refractivity
44.982
Polarizability
17.28338
Polar Surface Area
26.3
Rotatable Bonds
7
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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