Molecule

ID:66954

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrN₂O₂
Molecular Mass
202.99352
Exact Mass
201.93778935
Charge
0
InChI
InChI=1S/C5H3BrN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
InChIKey
WHYJVHQKKJHXTB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Br)cnc1
Isomeric Smiles
c1c(cc(cn1)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4643102
LogD (pH = 7.4)
1.4643102
Log P
1.4643102
Molar Refractivity
37.8444
Polarizability
14.42888
Polar Surface Area
56.03
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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