Molecule

ID:54698

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrF₂
Molecular Mass
170.9833064
Exact Mass
169.9542686
Charge
0
InChI
InChI=1S/C4H5BrF2/c5-2-3-1-4(3,6)7/h3H,1-2H2
InChIKey
TUDJNSKRXIUOAJ-UHFFFAOYSA-N
Canonic Smiles
BrCC1CC1(F)F
Isomeric Smiles
C1(C(C1)(F)F)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.6643734
LogD (pH = 7.4)
1.6643734
Log P
1.6643734
Molar Refractivity
26.4176
Polarizability
10.144948
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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