Molecule

ID:83304

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrNO₃
Molecular Mass
232.03144
Exact Mass
230.95310506
Charge
0
InChI
InChI=1S/C7H6BrNO3/c1-5(8)4-6-2-3-7(12-6)9(10)11/h2-4H,1H3
InChIKey
HZLSBQZGGWHNLJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(o1)/C=C(/Br)\C
Isomeric Smiles
[N+](=O)(c1ccc(o1)/C=C(/Br)\C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3537145
LogD (pH = 7.4)
2.3537145
Log P
2.3537145
Molar Refractivity
48.1519
Polarizability
17.440182
Polar Surface Area
58.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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