Molecule

ID:93541

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₃O₂
Molecular Mass
128.0499296
Exact Mass
128.008514
Charge
0
InChI
InChI=1S/C3H3F3O2/c4-3(5,6)1-8-2-7/h2H,1H2
InChIKey
CAFROQYMUICGNO-UHFFFAOYSA-N
Canonic Smiles
O=COCC(F)(F)F
Isomeric Smiles
O=COCC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8289459
LogD (pH = 7.4)
0.8289459
Log P
0.8289459
Molar Refractivity
18.3724
Polarizability
7.0430646
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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