Molecule

ID:98522

General Information
Structure
MolImage
Molecular Formula
C₃H₂Br₂F₄
Molecular Mass
273.8495928
Exact Mass
271.84593694
Charge
0
InChI
InChI=1S/C3H2Br2F4/c4-1-2(5,6)3(7,8)9/h1H2
InChIKey
HTJGTNQHWCNXJO-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(F)(F)F)(Br)F
Isomeric Smiles
FC(C(Br)(F)CBr)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9726813
LogD (pH = 7.4)
2.9726813
Log P
2.9726813
Molar Refractivity
32.149
Polarizability
12.54966
Polar Surface Area
0.0
Rotatable Bonds
2
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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