Molecule

ID:93079

General Information
Structure
MolImage
Molecular Formula
C₄HBrF₈
Molecular Mass
280.9419656
Exact Mass
279.91338779
Charge
0
InChI
InChI=1S/C4HBrF8/c5-4(12,13)3(10,11)2(8,9)1(6)7/h1H
InChIKey
VPZIQULETJOWKK-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(Br)(F)F)(F)F)(F)F)F
Isomeric Smiles
BrC(F)(C(C(C(F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
19.775122
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3513017
LogD (pH = 7.4)
3.3513017
Log P
3.3513017
Molar Refractivity
28.9588
Polarizability
11.506911
Polar Surface Area
0.0
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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