Molecule

ID:7137

General Information
Structure
MolImage
Molecular Formula
C₈H₂Cl₂F₄O
Molecular Mass
261.0004928
Exact Mass
259.94188292
Charge
0
InChI
InChI=1S/C8H2Cl2F4O/c9-5-2-3(8(12,13)14)1-4(6(5)11)7(10)15/h1-2H
InChIKey
WWXKIEVIKMYSCL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(cc(c1F)Cl)C(F)(F)F
Isomeric Smiles
c1(cc(c(c(c1)C(=O)Cl)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7887535
LogD (pH = 7.4)
3.7887535
Log P
3.7887535
Molar Refractivity
48.1676
Polarizability
17.431623
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
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Molecule Details
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References
Bioactivity
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