Molecule

ID:9889

General Information
Structure
Molecular Formula
C₅HBrF₈O
Molecular Mass
308.9520656
Exact Mass
307.90830241
Charge
0
InChI
InChI=1S/C5HBrF8O/c6-1(15)3(9,10)5(13,14)4(11,12)2(7)8/h2H
InChIKey
HCDUVTZKWYZNJA-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(=O)Br)(F)F)(F)F)(F)F)F
Isomeric Smiles
O=C(C(C(C(C(F)F)(F)F)(F)F)(F)F)Br
Calculated Properties
JChem
Acid pKa
19.782051
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.205533
LogD (pH = 7.4)
3.205533
Log P
3.205533
Molar Refractivity
33.2256
Polarizability
13.418346
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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