Molecule

ID:88372

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrINO₂
Molecular Mass
327.90199
Exact Mass
326.83918834
Charge
0
InChI
InChI=1S/C6H3BrINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChIKey
KHHGBDKCMRQYQX-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(I)cc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cc(c1)I)Br)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.610927
LogD (pH = 7.4)
3.610927
Log P
3.610927
Molar Refractivity
53.3638
Polarizability
20.744099
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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