Molecule

ID:8030

General Information
Structure
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Molecular Formula
C₂HBr₂N
Molecular Mass
198.84404
Exact Mass
196.84757304
Charge
0
InChI
InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
InChIKey
NDSBDLSWTGLNQA-UHFFFAOYSA-N
Canonic Smiles
BrC(C#N)Br
Isomeric Smiles
N#CC(Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6811749
LogD (pH = 7.4)
0.6811749
Log P
0.6811749
Molar Refractivity
27.232
Polarizability
10.521979
Polar Surface Area
23.79
Rotatable Bonds
0
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
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Related Proteins
No Data Available
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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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