Molecule

ID:135792

General Information
Structure
MolImage
Molecular Formula
C₃H₆BrCl
Molecular Mass
160.41470451
Exact Mass
158.94420439
Charge
0
InChI
InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2/i1+1,2+1,3+1
InChIKey
MFESCIUQSIBMSM-VMIGTVKRSA-N
Canonic Smiles
Cl[13CH2][13CH2][13CH2]Br
Isomeric Smiles
[13CH2]([13CH2]Cl)[13CH2]Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7459596
LogD (pH = 7.4)
1.7459596
Log P
1.7459596
Molar Refractivity
28.5045
Polarizability
11.027107
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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