Molecule

ID:98134

General Information
Structure
MolImage
Molecular Formula
C₈H₂Br₃F₁₃
Molecular Mass
584.7927216
Exact Mass
581.74990292
Charge
0
InChI
InChI=1S/C8H2Br3F13/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
InChIKey
OKURPQGPBHMFLE-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)Br
Isomeric Smiles
FC(C(F)(F)C(F)(F)C(F)(F)C(C(C(CBr)(Br)Br)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.0961957
LogD (pH = 7.4)
7.0961957
Log P
7.0961957
Molar Refractivity
63.2241
Polarizability
25.174742
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
No Data Available
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Molecule Details
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References
Bioactivity
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