Molecule

ID:67834

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrN₃O₂
Molecular Mass
203.98158
Exact Mass
202.93303832
Charge
0
InChI
InChI=1S/C4H2BrN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
InChIKey
LTZZMWXCPNGVNJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(ncc(cn1)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0483228
LogD (pH = 7.4)
1.0483228
Log P
1.0483228
Molar Refractivity
37.1403
Polarizability
13.785506
Polar Surface Area
68.92
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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