Molecule

ID:94247

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂F₂
Molecular Mass
182.9828864
Exact Mass
181.95016186
Charge
0
InChI
InChI=1S/C6H2Cl2F2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKey
XPBKEVCFKWTLHO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(c(c1)Cl)F
Isomeric Smiles
Fc1cc(c(c(c1)Cl)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.466739
LogD (pH = 7.4)
3.466739
Log P
3.466739
Molar Refractivity
36.1004
Polarizability
13.779077
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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