Molecule

ID:8111

General Information
Structure
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Molecular Formula
C₃H₅F₃O
Molecular Mass
114.0664096
Exact Mass
114.02924944
Charge
0
InChI
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKey
GILIYJDBJZWGBG-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)O
Isomeric Smiles
C(C(F)(F)F)(C)O
Calculated Properties
JChem
Acid pKa
11.584903
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.85309386
LogD (pH = 7.4)
0.85306585
Log P
0.8530942
Molar Refractivity
18.1302
Polarizability
6.696028
Polar Surface Area
20.23
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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