Molecule

ID:97531

General Information
Structure
MolImage
Molecular Formula
C₉H₄Cl₂F₆
Molecular Mass
297.0244792
Exact Mass
295.95942481
Charge
0
InChI
InChI=1S/C9H4Cl2F6/c10-1-3-6(12)4(2-11)8(14)5(7(3)13)9(15,16)17/h1-2H2
InChIKey
WBEUUUFAEGUGOA-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(F)c(CCl)c(c(c1F)C(F)(F)F)F
Isomeric Smiles
FC(c1c(c(c(c(c1F)CCl)F)CCl)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4536843
LogD (pH = 7.4)
4.4536843
Log P
4.4536843
Molar Refractivity
52.4147
Polarizability
18.798258
Polar Surface Area
0.0
Rotatable Bonds
3
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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