Molecule

ID:71914

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₄
Molecular Mass
162.1439
Exact Mass
162.06405681
Charge
0
InChI
InChI=1S/C5H10N2O4/c1-5(2,3-6(8)9)4-7(10)11/h3-4H2,1-2H3
InChIKey
IHFMWDOLRBNYBN-UHFFFAOYSA-N
Canonic Smiles
CC(C[N+](=O)[O-])(C[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)([O-])CC(C[N+](=O)[O-])(C)C
Calculated Properties
JChem
Acid pKa
6.4535184
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.89600575
LogD (pH = 7.4)
0.109587625
Log P
0.8991792
Molar Refractivity
36.8309
Polarizability
13.968786
Polar Surface Area
91.64
Rotatable Bonds
4
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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