Molecule

ID:97433

General Information
Structure
MolImage
Molecular Formula
C₆Cl₆F₈
Molecular Mass
436.7694256
Exact Mass
433.80034184
Charge
0
InChI
InChI=1S/C6Cl6F8/c7-1(13,4(17,18)5(9,10)11)3(15,16)2(8,14)6(12,19)20
InChIKey
ZUBPFQXYAINABF-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(Cl)(Cl)Cl)(F)F)(Cl)F)(F)F)(C(Cl)(F)F)Cl
Isomeric Smiles
ClC(C(C(Cl)(F)C(F)(F)C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.577889
LogD (pH = 7.4)
6.577889
Log P
6.577889
Molar Refractivity
60.7174
Polarizability
23.325962
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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