Molecule

ID:6471

General Information
Structure
Molecular Formula
C₃H₃BrF₂
Molecular Mass
156.9567264
Exact Mass
155.93861854
Charge
0
InChI
InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2
InChIKey
GDDNTTHUKVNJRA-UHFFFAOYSA-N
Canonic Smiles
C=CC(Br)(F)F
Isomeric Smiles
C(C=C)(Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2149305
LogD (pH = 7.4)
2.2149305
Log P
2.2149305
Molar Refractivity
24.2251
Polarizability
8.846963
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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