Molecule

ID:75609

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrN₄O₂
Molecular Mass
243.01762
Exact Mass
241.94393736
Charge
0
InChI
InChI=1S/C6H3BrN4O2/c7-4-1-5(11(12)13)6-9-8-3-10(6)2-4/h1-3H
InChIKey
RXPJMXNWABONRU-UHFFFAOYSA-N
Canonic Smiles
Brc1cn2cnnc2c(c1)[N+](=O)[O-]
Isomeric Smiles
n12cnnc1c(cc(c2)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.5077486
LogD (pH = 7.4)
0.5078335
Log P
0.50783455
Molar Refractivity
50.0959
Polarizability
17.495033
Polar Surface Area
73.33
Rotatable Bonds
1
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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