Molecule

ID:85292

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Br₂Cl₂
Molecular Mass
362.91628
Exact Mass
359.86827974
Charge
0
InChI
InChI=1S/C10H12Br2Cl2/c11-9(13)5-1-2-6-8(10(6,12)14)4-3-7(5)9/h5-8H,1-4H2
InChIKey
SFVAUXRMMFFMJV-UHFFFAOYSA-N
Canonic Smiles
ClC1(Br)C2C1CCC1C(CC2)C1(Cl)Br
Isomeric Smiles
BrC1(C2C1CCC1C(C1CC2)(Cl)Br)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.197389
LogD (pH = 7.4)
4.197389
Log P
4.197389
Molar Refractivity
68.166
Polarizability
26.498901
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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