Molecule

ID:136630

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrIN₂O₂
Molecular Mass
328.89005
Exact Mass
327.83443731
Charge
0
InChI
InChI=1S/C5H2BrIN2O2/c6-5-3(7)1-8-2-4(5)9(10)11/h1-2H
InChIKey
JFHZWSWOPGHICH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cncc(c1Br)I
Isomeric Smiles
c1c(c(c(cn1)I)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3932548
LogD (pH = 7.4)
2.3932548
Log P
2.3932548
Molar Refractivity
52.2111
Polarizability
20.037025
Polar Surface Area
58.71
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
References
Bioactivity
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