Molecule

ID:67293

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₂
Molecular Mass
139.1121
Exact Mass
139.03817642
Charge
0
InChI
InChI=1S/C5H5N3O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H,6H2
InChIKey
GZBKVUGZEAJYHH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ncccc1N
Isomeric Smiles
c1(c(cccn1)N)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
19.033464
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1110891
LogD (pH = 7.4)
1.1110891
Log P
1.1110891
Molar Refractivity
35.2355
Polarizability
12.537893
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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