Molecule

ID:111470

General Information
Structure
MolImage
Molecular Formula
C₂ClF₃O
Molecular Mass
132.4690096
Exact Mass
131.95897696
Charge
0
InChI
InChI=1S/C2ClF3O/c3-1(7)2(4,5)6
InChIKey
PNQBEPDZQUOCNY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(F)(F)F
Isomeric Smiles
FC(F)(F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4423126
LogD (pH = 7.4)
1.4423126
Log P
1.4423126
Molar Refractivity
17.5124
Polarizability
6.5641785
Polar Surface Area
17.07
Rotatable Bonds
1
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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