Molecule

ID:93649

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₃O₂
Molecular Mass
224.2201096
Exact Mass
224.10241438
Charge
0
InChI
InChI=1S/C10H15F3O2/c1-3-5-6-15-8(4-2)7-9(14)10(11,12)13/h7H,3-6H2,1-2H3
InChIKey
CQCDHDOIRRIQSO-UHFFFAOYSA-N
Canonic Smiles
CCCCO/C(=C/C(=O)C(F)(F)F)/CC
Isomeric Smiles
FC(F)(F)C(=O)/C=C(\CC)/OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.436077
LogD (pH = 7.4)
3.436077
Log P
3.436077
Molar Refractivity
52.7983
Polarizability
19.056974
Polar Surface Area
26.3
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
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References
Bioactivity
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