Molecule

ID:6468

General Information
Structure
Molecular Formula
C₈H₁₁BrF₄
Molecular Mass
263.0705528
Exact Mass
261.99802523
Charge
0
InChI
InChI=1S/C8H11BrF4/c1-2-3-4-5-6-7(10,11)8(9,12)13/h5-6H,2-4H2,1H3/b6-5+
InChIKey
ZIUUSJGUQRYFKK-AATRIKPKSA-N
Canonic Smiles
CCCC/C=C/C(C(Br)(F)F)(F)F
Isomeric Smiles
C(=C\C(C(Br)(F)F)(F)F)/CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6359143
LogD (pH = 7.4)
4.6359143
Log P
4.6359143
Molar Refractivity
48.3696
Polarizability
17.538338
Polar Surface Area
0.0
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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