Molecule

ID:50825

General Information
Structure
Molecular Formula
C₅H₂Br₂N₄
Molecular Mass
277.90418
Exact Mass
275.86462008
Charge
0
InChI
InChI=1S/C5H2Br2N4/c6-3-1-11-5(4(7)10-3)8-2-9-11/h1-2H
InChIKey
KUILFTQAMHFSPW-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(Br)c2n(c1)ncn2
Isomeric Smiles
c12n(cc(nc1Br)Br)ncn2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8956838
LogD (pH = 7.4)
1.895684
Log P
1.895684
Molar Refractivity
59.5248
Polarizability
17.852013
Polar Surface Area
43.08
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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