Molecule

ID:71445

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrF₂
Molecular Mass
185.0098864
Exact Mass
183.96991866
Charge
0
InChI
InChI=1S/C5H7BrF2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2
InChIKey
CAVNVGJESLKKME-UHFFFAOYSA-N
Canonic Smiles
BrCC1CC(C1)(F)F
Isomeric Smiles
C1(CC(C1)CBr)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7335122
LogD (pH = 7.4)
1.7335122
Log P
1.7335122
Molar Refractivity
31.4346
Polarizability
11.8709955
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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