Molecule

ID:94740

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₂F₉
Molecular Mass
405.8816488
Exact Mass
403.84577808
Charge
0
InChI
InChI=1S/C6H3Br2F9/c7-1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2
InChIKey
ABBOXTQECRSSQR-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Br
Isomeric Smiles
BrCC(C(C(C(F)(C(F)(F)F)F)(F)F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9882865
LogD (pH = 7.4)
4.9882865
Log P
4.9882865
Molar Refractivity
45.7469
Polarizability
18.089495
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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