Molecule

ID:80408

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇Br₂N
Molecular Mass
299.04598
Exact Mass
296.97277355
Charge
0
InChI
InChI=1S/C9H16BrN.BrH/c10-9-4-2-1-3-8(9)7-11-6-5-9;/h8,11H,1-7H2;1H
InChIKey
MSLNCHXKIBKKPX-UHFFFAOYSA-N
Canonic Smiles
BrC12CCCCC2CNCC1.Br
Isomeric Smiles
N1CCC2(C(C1)CCCC2)Br.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2614014
LogD (pH = 7.4)
-0.26958215
Log P
1.9285337
Molar Refractivity
50.8296
Polarizability
20.035355
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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