Molecule

ID:75245

General Information
Structure
MolImage
Molecular Formula
C₅H₆Br₂Cl₂
Molecular Mass
296.81514
Exact Mass
293.82132955
Charge
0
InChI
InChI=1S/C5H6Br2Cl2/c6-5(7)1-4(5,2-8)3-9/h1-3H2
InChIKey
RCRVZCIUKQNOIS-UHFFFAOYSA-N
Canonic Smiles
ClCC1(CCl)CC1(Br)Br
Isomeric Smiles
BrC1(CC1(CCl)CCl)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7734644
LogD (pH = 7.4)
2.7734644
Log P
2.7734644
Molar Refractivity
48.2797
Polarizability
18.99329
Polar Surface Area
0.0
Rotatable Bonds
2
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
References
Bioactivity
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