Molecule

ID:15956

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Br₂
Molecular Mass
292.01028
Exact Mass
289.93057438
Charge
0
InChI
InChI=1S/C10H12Br2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3
InChIKey
VEZJOZSIGSNYEB-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)c(C)c(c(c1C)Br)Br
Isomeric Smiles
c1(c(c(c(c(c1C)Br)Br)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5644364
LogD (pH = 7.4)
5.5644364
Log P
5.5644364
Molar Refractivity
61.4684
Polarizability
23.060825
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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