Molecule

ID:128887

General Information
Structure
MolImage
Molecular Formula
C₂H₃NO₅
Molecular Mass
121.04892
Exact Mass
121.0011222
Charge
0
InChI
InChI=1S/C2H3NO5/c1-2(4)7-8-3(5)6/h1H3
InChIKey
VGQXTTSVLMQFHM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)OOC(=O)C
Isomeric Smiles
CC(=O)OO[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.32240966
LogD (pH = 7.4)
0.32240966
Log P
0.32240966
Molar Refractivity
20.9747
Polarizability
8.267252
Polar Surface Area
81.35
Rotatable Bonds
3
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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