Molecule

ID:11864

General Information
Structure
MolImage
Molecular Formula
C₆H₈BrF₃
Molecular Mass
217.0269296
Exact Mass
215.97614692
Charge
0
InChI
InChI=1S/C6H8BrF3/c7-4-2-1-3-5(8)6(9)10/h1-4H2
InChIKey
YSTVLPSZAHXMQI-UHFFFAOYSA-N
Canonic Smiles
BrCCCCC(=C(F)F)F
Isomeric Smiles
C(=C(CCCCBr)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.729221
LogD (pH = 7.4)
2.729221
Log P
2.729221
Molar Refractivity
48.8269
Polarizability
14.03008
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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