Molecule

ID:97524

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClF₄O₂
Molecular Mass
208.5386128
Exact Mass
207.99141996
Charge
0
InChI
InChI=1S/C5H5ClF4O2/c1-2-12-3(11)4(7,8)5(6,9)10/h2H2,1H3
InChIKey
FBLDISGAMTZLRR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(Cl)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(F)(F)C(F)(F)Cl)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3190143
LogD (pH = 7.4)
2.3190143
Log P
2.3190143
Molar Refractivity
32.6744
Polarizability
12.493368
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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