Molecule

ID:136599

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrNO₂
Molecular Mass
202.00546
Exact Mass
200.94254037
Charge
0
InChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChIKey
ORPVVAKYSXQCJI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1Br
Isomeric Smiles
c1ccc(c(c1)[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
15.214935
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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