Molecule

ID:50826

General Information
Structure
Molecular Formula
C₆H₄Br₂N₄
Molecular Mass
291.93076
Exact Mass
289.88027015
Charge
0
InChI
InChI=1S/C6H4Br2N4/c1-3-9-6-5(8)10-4(7)2-12(6)11-3/h2H,1H3
InChIKey
RRSNBXYGYCPJBV-UHFFFAOYSA-N
Canonic Smiles
Brc1cn2nc(nc2c(n1)Br)C
Isomeric Smiles
c12n(nc(n1)C)cc(nc2Br)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7423878
LogD (pH = 7.4)
2.7423897
Log P
2.7423897
Molar Refractivity
64.1492
Polarizability
19.542225
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
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Molecule Details
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References
Bioactivity
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