Molecule

ID:80404

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇Br₂N
Molecular Mass
299.04598
Exact Mass
296.97277355
Charge
0
InChI
InChI=1S/C9H16BrN.BrH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h7-9,11H,1-6H2;1H
InChIKey
MULJNNJCIXOMNU-UHFFFAOYSA-N
Canonic Smiles
BrC1CCC2C(C1)CCNC2.Br
Isomeric Smiles
N1CCC2CC(Br)CCC2C1.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.345913
LogD (pH = 7.4)
-0.96505314
Log P
1.8882596
Molar Refractivity
50.9594
Polarizability
20.033413
Polar Surface Area
12.03
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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