Molecule

ID:99038

General Information
Structure
MolImage
Molecular Formula
C₅BrF₁₁O
Molecular Mass
364.9393352
Exact Mass
363.89568704
Charge
0
InChI
InChI=1S/C5BrF11O/c6-2(8,9)5(16,17)18-1(7,3(10,11)12)4(13,14)15
InChIKey
NNJIYASXBPPIGU-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(C(F)(F)F)OC(C(Br)(F)F)(F)F
Isomeric Smiles
O(C(C(Br)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.82545
LogD (pH = 7.4)
4.82545
Log P
4.82545
Molar Refractivity
37.3278
Polarizability
14.439498
Polar Surface Area
9.23
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
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Molecule Details
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References
Bioactivity
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