Molecule

ID:6473

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁BrF₂
Molecular Mass
213.0630464
Exact Mass
212.00121879
Charge
0
InChI
InChI=1S/C7H11BrF2/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3/b6-5+
InChIKey
LQSFBLRBYQAEKS-AATRIKPKSA-N
Canonic Smiles
CCCC/C=C/C(Br)(F)F
Isomeric Smiles
C(=C\CCCC)/C(F)(F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9352715
LogD (pH = 7.4)
3.9352715
Log P
3.9352715
Molar Refractivity
43.7016
Polarizability
15.829596
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
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Molecule Details
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References
Bioactivity
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