Molecule

ID:8722

General Information
Structure
MolImage
Molecular Formula
C₆Br₂F₁₂
Molecular Mass
459.8530384
Exact Mass
457.81751264
Charge
0
InChI
InChI=1S/C6Br2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
InChIKey
SWAPKQWKFYIOJS-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(Br)(F)F)(F)F)(C(C(C(Br)(F)F)(F)F)(F)F)F
Isomeric Smiles
BrC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5984073
LogD (pH = 7.4)
5.5984073
Log P
5.5984073
Molar Refractivity
46.8278
Polarizability
18.620562
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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