Molecule

ID:16010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrNO₂
Molecular Mass
252.06414
Exact Mass
250.95819044
Charge
0
InChI
InChI=1S/C10H6BrNO2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12(13)14/h1-6H
InChIKey
KRQFZBUWIOZDMP-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc2ccccc2cc1Br
Isomeric Smiles
c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6714594
LogD (pH = 7.4)
3.6714594
Log P
3.6714594
Molar Refractivity
57.4557
Polarizability
22.44491
Polar Surface Area
45.82
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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