Molecule
ID:73673
General Information
Molecular Formula
C₈H₁₂BrN
Molecular Mass
202.09158
Exact Mass
201.01531139
Charge
0
InChI
InChI=1S/C8H12BrN/c1-8(9)6-4-2-3-5-7-10/h1-6H2
InChIKey
RAOTZJOKEGDJAV-UHFFFAOYSA-N
Canonic Smiles
N#CCCCCCC(=C)Br
Isomeric Smiles
BrC(=C)CCCCCC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.699558
LogD (pH = 7.4)
2.699558
Log P
2.699558
Molar Refractivity
46.9872
Polarizability
17.768726
Polar Surface Area
23.79
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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