Molecule
ID:121818
General Information
Molecular Formula
C₅H₆Br₂N₂
Molecular Mass
253.92254
Exact Mass
251.8897722
Charge
0
InChI
InChI=1S/C5H6Br2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3
InChIKey
LNWORINWPDQJGF-UHFFFAOYSA-N
Canonic Smiles
Brc1nn(c(c1Br)C)C
Isomeric Smiles
c1(c(nn(c1C)C)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.343692
LogD (pH = 7.4)
2.3436944
Log P
2.3436944
Molar Refractivity
56.1989
Polarizability
16.80493
Polar Surface Area
17.82
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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