Molecule

ID:74161

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₃
Molecular Mass
132.11792
Exact Mass
132.05349213
Charge
0
InChI
InChI=1S/C4H8N2O3/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3
InChIKey
ISROKTUWQRVBQO-UHFFFAOYSA-N
Canonic Smiles
CN/C(=C\[N+](=O)[O-])/OC
Isomeric Smiles
N(/C(=C\[N+](=O)[O-])/OC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.12939408
LogD (pH = 7.4)
0.12940487
Log P
0.129405
Molar Refractivity
39.7151
Polarizability
11.727673
Polar Surface Area
64.4
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
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References
Bioactivity
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