Molecule

ID:59372

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrN₂O₂
Molecular Mass
202.99352
Exact Mass
201.93778935
Charge
0
InChI
InChI=1S/C5H3BrN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H
InChIKey
ZCCUFLITCDHRMG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccnc1Br
Isomeric Smiles
c1cnc(c(c1)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6698322
LogD (pH = 7.4)
1.6698322
Log P
1.6698322
Molar Refractivity
38.6866
Polarizability
14.4805975
Polar Surface Area
56.03
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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