Molecule

ID:97542

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁F₃O₄
Molecular Mass
240.1764496
Exact Mass
240.06094349
Charge
0
InChI
InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3
InChIKey
XNGGOXOLHQANRB-UHFFFAOYSA-N
Canonic Smiles
CCO/C=C(\C(=O)C(F)(F)F)/C(=O)OCC
Isomeric Smiles
O(C(=O)/C(=C/OCC)/C(=O)C(F)(F)F)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1974027
LogD (pH = 7.4)
2.1974027
Log P
2.1974027
Molar Refractivity
48.9222
Polarizability
18.272802
Polar Surface Area
52.6
Rotatable Bonds
7
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
References
Bioactivity
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