Molecule

ID:8689

General Information
Structure
MolImage
Molecular Formula
C₄Br₂Cl₂F₆
Molecular Mass
392.7472192
Exact Mass
389.76479868
Charge
0
InChI
InChI=1S/C4Br2Cl2F6/c5-1(9,4(8,13)14)2(10,11)3(6,7)12
InChIKey
CNQPZAGOLNLMLO-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(Cl)(F)F)(Br)F)(F)F)(Br)Cl
Isomeric Smiles
C(C(C(C(Cl)(F)F)(F)Br)(F)F)(Br)(F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.573345
LogD (pH = 7.4)
4.573345
Log P
4.573345
Molar Refractivity
47.2532
Polarizability
18.415428
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
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Molecule Details
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References
Bioactivity
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