Molecule

ID:76851

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₂
Molecular Mass
139.1121
Exact Mass
139.03817642
Charge
0
InChI
InChI=1S/C5H5N3O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H,(H2,6,7)
InChIKey
DBDHHHBAZZYVJG-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(c1)[N+](=O)[O-]
Isomeric Smiles
n1c(cc(cc1)[N+](=O)[O-])N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.46049434
LogD (pH = 7.4)
0.46108165
Log P
0.46108916
Molar Refractivity
35.2355
Polarizability
12.527809
Polar Surface Area
82.05
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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