Molecule

ID:80346

General Information
Structure
MolImage
Molecular Formula
C₈H₄Br₂N₄
Molecular Mass
315.95216
Exact Mass
313.88027015
Charge
0
InChI
InChI=1S/C8H4Br2N4/c9-1-5-6(2-10)14-8(4-12)7(3-11)13-5/h1-2H2
InChIKey
MNQCQOVTHVRUAE-UHFFFAOYSA-N
Canonic Smiles
BrCc1nc(C#N)c(nc1CBr)C#N
Isomeric Smiles
n1c(c(nc(c1CBr)CBr)C#N)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7302125
LogD (pH = 7.4)
1.7302125
Log P
1.7302125
Molar Refractivity
57.0998
Polarizability
21.797867
Polar Surface Area
73.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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