Molecule

ID:9478

General Information
Structure
MolImage
Molecular Formula
C₉BrF₁₉
Molecular Mass
548.9699608
Exact Mass
547.88799818
Charge
0
InChI
InChI=1S/C9BrF19/c10-8(25,26)6(21,22)4(17,18)2(13,14)1(11,12)3(15,16)5(19,20)7(23,24)9(27,28)29
InChIKey
OWIAIPIQXHPUHV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.343276
LogD (pH = 7.4)
7.343276
Log P
7.343276
Molar Refractivity
53.1885
Polarizability
21.27878
Polar Surface Area
0.0
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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