Molecule

ID:69532

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrNO₂
Molecular Mass
202.00546
Exact Mass
200.94254037
Charge
0
InChI
InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey
ZDFBKZUDCQQKAC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cc1)[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
40.0013
Polarizability
15.189291
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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