Molecule

ID:101986

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)
InChIKey
BOAFCICMVMFLIT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc[nH]c1=O
Isomeric Smiles
c1([N+](=O)[O-])c(=O)[nH]ccc1
Calculated Properties
JChem
Acid pKa
8.568653
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2131782
LogD (pH = 7.4)
-0.23800132
Log P
-0.21284986
Molar Refractivity
33.3348
Polarizability
11.991937
Polar Surface Area
72.24
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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