Molecule

ID:18839

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrN₂O₂
Molecular Mass
202.99352
Exact Mass
201.93778935
Charge
0
InChI
InChI=1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H
InChIKey
ATXXLNCPVSUCNK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)[N+](=O)[O-]
Isomeric Smiles
c1(cnc(cc1)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0587678
LogD (pH = 7.4)
2.0587678
Log P
2.0587678
Molar Refractivity
38.1579
Polarizability
14.436288
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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