Molecule

ID:68144

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₂
Molecular Mass
139.1121
Exact Mass
139.03817642
Charge
0
InChI
InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)
InChIKey
UGSBCCAHDVCHGI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cn1)[N+](=O)[O-])N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.46102595
LogD (pH = 7.4)
0.46108836
Log P
0.46108916
Molar Refractivity
35.2355
Polarizability
12.52684
Polar Surface Area
82.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
19.59554
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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