Molecule

ID:99806

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(6(14,15)16,7(17,18)19)4(10,11)5(12,13)8(20,21)22/h1-2H2
InChIKey
UVKBMPCVVMQGLN-UHFFFAOYSA-N
Canonic Smiles
BrCCC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
BrCCC(C(F)(F)C(F)(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.427042
LogD (pH = 7.4)
5.427042
Log P
5.427042
Molar Refractivity
49.3266
Polarizability
18.646055
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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