Molecule

ID:105713

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂BrCl
Molecular Mass
199.51648
Exact Mass
197.98109006
Charge
0
InChI
InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
JTYUIAOHIYZBPB-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCBr
Isomeric Smiles
ClCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1524596
LogD (pH = 7.4)
3.1524596
Log P
3.1524596
Molar Refractivity
42.3511
Polarizability
16.387304
Polar Surface Area
0.0
Rotatable Bonds
5
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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