Molecule

ID:8104

General Information
Structure
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Molecular Formula
C₃H₃F₃O
Molecular Mass
112.0505296
Exact Mass
112.01359938
Charge
0
InChI
InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChIKey
AQZRARFZZMGLHL-UHFFFAOYSA-N
Canonic Smiles
FC(C1OC1)(F)F
Isomeric Smiles
O1CC1C(F)(F)F
Calculated Properties
JChem
Acid pKa
19.894026
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9678878
LogD (pH = 7.4)
0.9678878
Log P
0.9678878
Molar Refractivity
16.1638
Polarizability
6.132198
Polar Surface Area
9.23
Rotatable Bonds
1
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
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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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