Molecule

ID:9775

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₄O₄
Molecular Mass
218.1030528
Exact Mass
218.02022155
Charge
0
InChI
InChI=1S/C6H6F4O4/c1-13-3(11)5(7,8)6(9,10)4(12)14-2/h1-2H3
InChIKey
RMXAYQBUNVSEPG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(=O)OC)(F)F)(F)F
Isomeric Smiles
O=C(OC)C(C(C(=O)OC)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.429322
LogD (pH = 7.4)
1.429322
Log P
1.429322
Molar Refractivity
33.3128
Polarizability
13.302063
Polar Surface Area
52.6
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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