Molecule

ID:7268

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrF₉
Molecular Mass
326.9855888
Exact Mass
325.93526611
Charge
0
InChI
InChI=1S/C6H4BrF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2
InChIKey
UDFSAZKDTBRQDY-UHFFFAOYSA-N
Canonic Smiles
BrCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(CCBr)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3488374
LogD (pH = 7.4)
4.3488374
Log P
4.3488374
Molar Refractivity
38.2017
Polarizability
14.825022
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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