Molecule

ID:63377

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₂
Molecular Mass
139.1121
Exact Mass
139.03817642
Charge
0
InChI
InChI=1S/C5H5N3O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H,(H2,6,7)
InChIKey
IUPPEELMBOPLDJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnccc1N
Isomeric Smiles
c1(c(ccnc1)N)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.494588
LogD (pH = 7.4)
0.5163453
Log P
0.5166316
Molar Refractivity
34.922
Polarizability
12.525269
Polar Surface Area
82.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
19.652802
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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