Molecule

ID:53305

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₂N₄
Molecular Mass
277.90418
Exact Mass
275.86462008
Charge
0
InChI
InChI=1S/C5H2Br2N4/c6-3-1-8-4(7)5-9-2-10-11(3)5/h1-2H
InChIKey
IDWOTLNDEITXRA-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c2n1ncn2)Br
Isomeric Smiles
n1cc(n2c(c1Br)ncn2)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3905172
LogD (pH = 7.4)
1.3905175
Log P
1.3905175
Molar Refractivity
58.4646
Polarizability
17.847836
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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