Molecule

ID:98526

General Information
Structure
Molecular Formula
C₂HBr₃F₂
Molecular Mass
302.7381464
Exact Mass
299.75964247
Charge
0
InChI
InChI=1S/C2HBr3F2/c3-1(6)2(4,5)7/h1H
InChIKey
WEOPEGKLXDOKLY-UHFFFAOYSA-N
Canonic Smiles
FC(C(Br)(Br)F)Br
Isomeric Smiles
BrC(C(Br)(Br)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.215978
LogD (pH = 7.4)
2.215978
Log P
2.215978
Molar Refractivity
35.0012
Polarizability
13.950628
Polar Surface Area
0.0
Rotatable Bonds
1
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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