Molecule

ID:55368

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁Br₂N
Molecular Mass
339.10984
Exact Mass
337.00407368
Charge
0
InChI
InChI=1S/C12H20BrN.BrH/c1-14(2)12-6-9-3-10(7-12)5-11(13,4-9)8-12;/h9-10H,3-8H2,1-2H3;1H
InChIKey
ZFXFSYWKMUHPMT-UHFFFAOYSA-N
Canonic Smiles
CN(C12CC3CC(C1)CC(C2)(C3)Br)C.Br
Isomeric Smiles
C1C2CC3(CC1(CC(C2)C3)Br)N(C)C.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.89855736
LogD (pH = 7.4)
0.5165237
Log P
2.4336617
Molar Refractivity
63.2779
Polarizability
24.799208
Polar Surface Area
3.24
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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