Molecule

ID:93569

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₈O₃
Molecular Mass
302.1186656
Exact Mass
302.01891981
Charge
0
InChI
InChI=1S/C8H6F8O3/c1-19-4(18)2-3(17)6(11,12)8(15,16)7(13,14)5(9)10/h5H,2H2,1H3
InChIKey
AXJGVTDNUULIKN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C)C(=O)CC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
6.54148
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0854764
LogD (pH = 7.4)
2.2104223
Log P
2.8898985
Molar Refractivity
41.4325
Polarizability
16.162592
Polar Surface Area
43.37
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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