Molecule

ID:79939

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁BrN₂
Molecular Mass
179.05824
Exact Mass
178.01056036
Charge
0
InChI
InChI=1S/C5H10N2.BrH/c1-7(2)5-3-4-6;/h3,5H2,1-2H3;1H
InChIKey
CITYBCVEVFKGBW-UHFFFAOYSA-N
Canonic Smiles
N#CCC[NH+](C)C.[Br-]
Isomeric Smiles
N#CCC[NH+](C)C.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4729714
LogD (pH = 7.4)
-0.16196626
Log P
-0.036885623
Molar Refractivity
40.7683
Polarizability
11.243953
Polar Surface Area
28.23
Rotatable Bonds
2
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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