Molecule

ID:8090

General Information
Structure
Molecular Formula
C₉H₁₀F₆O₄
Molecular Mass
296.1637192
Exact Mass
296.04832812
Charge
0
InChI
InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3
InChIKey
MSDPXVBLFJODJO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(=O)OCC)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(OCC)C(C(C(C(=O)OCC)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8435805
LogD (pH = 7.4)
2.8435805
Log P
2.8435805
Molar Refractivity
47.478
Polarizability
18.532967
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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