Molecule

ID:8728

General Information
Structure
MolImage
Molecular Formula
C₈Br₂F₁₆
Molecular Mass
559.8680512
Exact Mass
557.81112552
Charge
0
InChI
InChI=1S/C8Br2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
InChIKey
LYRJPHOHVRHNQH-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(Br)(F)F)(F)F)(F)F)(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.9996924
LogD (pH = 7.4)
6.9996924
Log P
6.9996924
Molar Refractivity
56.1638
Polarizability
22.451044
Polar Surface Area
0.0
Rotatable Bonds
7
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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