Molecule

ID:93820

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrF₁₃
Molecular Mass
427.0006016
Exact Mass
425.92887899
Charge
0
InChI
InChI=1S/C8H4BrF13/c9-2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
InChIKey
AJIHCPVPJZKWAJ-UHFFFAOYSA-N
Canonic Smiles
BrCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
BrCCC(F)(C(F)(F)C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.750123
LogD (pH = 7.4)
5.750123
Log P
5.750123
Molar Refractivity
47.5377
Polarizability
18.637419
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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