Molecule

ID:58414

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Br₂
Molecular Mass
322.07932
Exact Mass
319.97752458
Charge
0
InChI
InChI=1S/C12H18Br2/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10H,2-7H2,1H3
InChIKey
JYOVSTJYLZJQNY-UHFFFAOYSA-N
Canonic Smiles
CC(C12CC3CC(C1)CC(C2)(C3)Br)Br
Isomeric Smiles
C1C2CC3(CC1(CC(C2)C3)Br)C(Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.088855
LogD (pH = 7.4)
4.088855
Log P
4.088855
Molar Refractivity
66.6157
Polarizability
26.145735
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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