Molecule

ID:93333

General Information
Structure
MolImage
Molecular Formula
C₄H₅Cl₂F₃O
Molecular Mass
196.9831096
Exact Mass
195.9669548
Charge
0
InChI
InChI=1S/C4H5Cl2F3O/c5-1-2-10-4(8,9)3(6)7/h3H,1-2H2
InChIKey
AJZSRFYSFRHFDZ-UHFFFAOYSA-N
Canonic Smiles
ClCCOC(C(Cl)F)(F)F
Isomeric Smiles
O(C(C(F)Cl)(F)F)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5369408
LogD (pH = 7.4)
2.5369408
Log P
2.5369408
Molar Refractivity
32.3998
Polarizability
12.434371
Polar Surface Area
9.23
Rotatable Bonds
4
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
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References
Bioactivity
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