Molecule

ID:7873

General Information
Structure
Molecular Formula
C₆BrF₁₁
Molecular Mass
360.9506352
Exact Mass
359.90077242
Charge
0
InChI
InChI=1S/C6BrF11/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
InChIKey
ZAGWQKRFOLDLGQ-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)Br)(F)F
Isomeric Smiles
C1(C(C(C(C(C1(F)F)(F)F)(Br)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.887287
LogD (pH = 7.4)
4.887287
Log P
4.887287
Molar Refractivity
35.7431
Polarizability
14.586608
Polar Surface Area
0.0
Rotatable Bonds
0
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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