Molecule

ID:12051

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₈O₄
Molecular Mass
294.0966656
Exact Mass
294.01383443
Charge
0
InChI
InChI=1S/C6H6F8O4/c7-3(8,1-15)17-5(11,12)6(13,14)18-4(9,10)2-16/h15-16H,1-2H2
InChIKey
CWIAFBQLWOMNFY-UHFFFAOYSA-N
Canonic Smiles
OCC(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCC(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
11.623569
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.0899243
LogD (pH = 7.4)
2.0898988
Log P
2.0899246
Molar Refractivity
38.901
Polarizability
14.659401
Polar Surface Area
58.92
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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