Molecule

ID:75826

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrN₅O₂
Molecular Mass
244.00568
Exact Mass
242.93918633
Charge
0
InChI
InChI=1S/C5H2BrN5O2/c6-3-1-4(11(12)13)5-7-8-9-10(5)2-3/h1-2H
InChIKey
NXTXSMJQRBVECE-UHFFFAOYSA-N
Canonic Smiles
Brc1cn2nnnc2c(c1)[N+](=O)[O-]
Isomeric Smiles
n12nnnc1c(cc(c2)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.5116694
LogD (pH = 7.4)
1.5116694
Log P
1.5116694
Molar Refractivity
59.0983
Polarizability
16.763233
Polar Surface Area
88.9
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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