Molecule

ID:89654

General Information
Structure
MolImage
Molecular Formula
C₅H₃NO₄
Molecular Mass
141.08162
Exact Mass
141.00620758
Charge
0
InChI
InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKey
SXINBFXPADXIEY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)[N+](=O)[O-]
Isomeric Smiles
o1c(ccc1C=O)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.77527
LogD (pH = 7.4)
0.77527
Log P
0.77527
Molar Refractivity
30.6067
Polarizability
11.2183895
Polar Surface Area
73.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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