Molecule

ID:108912

General Information
Structure
Molecular Formula
C₄H₈BrCl
Molecular Mass
171.46332
Exact Mass
169.94978994
Charge
0
InChI
InChI=1S/C4H8BrCl/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey
ZHTDTJPDPPKLTG-UHFFFAOYSA-N
Canonic Smiles
CC(CCBr)Cl
Isomeric Smiles
CC(Cl)CCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1625347
LogD (pH = 7.4)
2.1625347
Log P
2.1625347
Molar Refractivity
32.9233
Polarizability
12.8032
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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