Molecule

ID:107656

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃Br₂N
Molecular Mass
246.97142
Exact Mass
244.94147342
Charge
0
InChI
InChI=1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
OINMNSFDYTYXEQ-UHFFFAOYSA-M
Canonic Smiles
BrCC[N+](C)(C)C.[Br-]
Isomeric Smiles
[Br-].C[N+](C)(C)CCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.1221821
LogD (pH = 7.4)
-3.1221821
Log P
-3.1221821
Molar Refractivity
48.2285
Polarizability
14.136367
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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