Molecule

ID:95443

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀F₄O₃
Molecular Mass
218.1461128
Exact Mass
218.05660706
Charge
0
InChI
InChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,14-4-2)7(9,10)11/h3-4H2,1-2H3
InChIKey
QOJXQRSCNVLGPK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(OCC)F
Isomeric Smiles
FC(C(F)(F)F)(C(=O)OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3519313
LogD (pH = 7.4)
2.3519313
Log P
2.3519313
Molar Refractivity
38.7203
Polarizability
14.760275
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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