Molecule

ID:93075

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₆O₄
Molecular Mass
280.1212592
Exact Mass
280.01702799
Charge
0
InChI
InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2
InChIKey
KZTDZFZLDVZRCF-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/C(=O)OCC(F)(F)F)OCC(F)(F)F
Isomeric Smiles
FC(COC(=O)/C=C/C(=O)OCC(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.627733
LogD (pH = 7.4)
2.627733
Log P
2.627733
Molar Refractivity
45.0454
Polarizability
16.576698
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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