Molecule
ID:82822
General Information
Molecular Formula
C₆H₃BrN₄
Molecular Mass
211.01882
Exact Mass
209.95410812
Charge
0
InChI
InChI=1S/C6H3BrN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3
InChIKey
ROALCCYWMDMWON-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(C#N)nc(n1C)Br
Isomeric Smiles
n1c(n(c(c1C#N)C#N)C)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1605628
LogD (pH = 7.4)
1.1605628
Log P
1.1605628
Molar Refractivity
42.483
Polarizability
15.724955
Polar Surface Area
65.4
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
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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