Molecule

ID:136084

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrNO₂
Molecular Mass
207.96138903
Exact Mass
206.9626694
Charge
0
InChI
InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
ZDFBKZUDCQQKAC-IDEBNGHGSA-N
Canonic Smiles
Br[13c]1[13cH][13cH][13c]([13cH][13cH]1)[N+](=O)[O-]
Isomeric Smiles
[13cH]1[13cH][13c]([13cH][13cH][13c]1[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6819825
LogD (pH = 7.4)
2.6819825
Log P
2.6819825
Molar Refractivity
41.0055
Polarizability
15.189291
Polar Surface Area
45.82
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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