Molecule

ID:16165

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₃O₂
Molecular Mass
168.1137896
Exact Mass
168.03981412
Charge
0
InChI
InChI=1S/C6H7F3O2/c1-11-4(10)5(2-3-5)6(7,8)9/h2-3H2,1H3
InChIKey
PAWUSHZXEZPDBE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(CC1)C(F)(F)F
Isomeric Smiles
C1CC1(C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6227859
LogD (pH = 7.4)
1.6227859
Log P
1.6227859
Molar Refractivity
30.2455
Polarizability
11.542608
Polar Surface Area
26.3
Rotatable Bonds
3
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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