Molecule

ID:58503

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Br₂
Molecular Mass
294.02616
Exact Mass
291.94622445
Charge
0
InChI
InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2
InChIKey
HLWZKLMEOVIWRK-UHFFFAOYSA-N
Canonic Smiles
BrC12CC3CC(C1)CC(C2)(C3)Br
Isomeric Smiles
C1C2CC3(CC1CC(C3)(C2)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2650023
LogD (pH = 7.4)
3.2650023
Log P
3.2650023
Molar Refractivity
57.5856
Polarizability
22.556595
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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