Molecule

ID:99961

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₃O
Molecular Mass
112.0505296
Exact Mass
112.01359938
Charge
0
InChI
InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2
InChIKey
UTMIEQASUFFADK-UHFFFAOYSA-N
Canonic Smiles
O=CCC(F)(F)F
Isomeric Smiles
FC(CC=O)(F)F
Calculated Properties
JChem
Acid pKa
10.470986
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.68299633
LogD (pH = 7.4)
0.68263257
Log P
0.683001
Molar Refractivity
17.2777
Polarizability
6.211331
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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