Molecule

ID:8690

General Information
Structure
MolImage
Molecular Formula
C₂HBr₂ClF₂
Molecular Mass
258.2871464
Exact Mass
255.81015815
Charge
0
InChI
InChI=1S/C2HBr2ClF2/c3-1(5)2(4,6)7/h1H
InChIKey
QGCCTZALDPXCGS-UHFFFAOYSA-N
Canonic Smiles
ClC(C(Br)(F)F)Br
Isomeric Smiles
C(C(Cl)Br)(F)(F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3634412
LogD (pH = 7.4)
2.3634412
Log P
2.3634412
Molar Refractivity
32.2764
Polarizability
12.656795
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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