Molecule

ID:61872

General Information
Structure
Molecular Formula
C₈H₁₁F₃O₃
Molecular Mass
212.1663496
Exact Mass
212.06602887
Charge
0
InChI
InChI=1S/C8H11F3O3/c1-3-13-7(14-4-2)5-6(12)8(9,10)11/h5H,3-4H2,1-2H3
InChIKey
JWDYGCDCWBPJCV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=CC(=O)C(F)(F)F)OCC
Isomeric Smiles
C(=C(OCC)OCC)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6218412
LogD (pH = 7.4)
2.6218412
Log P
2.6218412
Molar Refractivity
54.1085
Polarizability
16.276045
Polar Surface Area
35.53
Rotatable Bonds
6
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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