Molecule

ID:80414

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Br₂N
Molecular Mass
287.03528
Exact Mass
284.97277355
Charge
0
InChI
InChI=1S/C8H17BrN.BrH/c1-10(2)6-4-3-5-8(10)7-9;/h8H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKey
NMUOZYTWMBLBIU-UHFFFAOYSA-M
Canonic Smiles
BrCC1CCCC[N+]1(C)C.[Br-]
Isomeric Smiles
[N+]1(C(CBr)CCCC1)(C)C.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.2120488
LogD (pH = 7.4)
-2.2120488
Log P
-2.2120488
Molar Refractivity
60.0407
Polarizability
18.874939
Polar Surface Area
0.0
Rotatable Bonds
1
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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