Molecule

ID:52437

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₄
Molecular Mass
161.15584
Exact Mass
161.06880784
Charge
0
InChI
InChI=1S/C6H11NO4/c1-3-5(7(9)10)6(8)11-4-2/h5H,3-4H2,1-2H3
InChIKey
IENPWWUIYXMCJY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C([N+](=O)[O-])CC
Isomeric Smiles
C(=O)(C(CC)[N+](=O)[O-])OCC
Calculated Properties
JChem
Acid pKa
7.640577
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0883782
LogD (pH = 7.4)
0.8944964
Log P
1.0915066
Molar Refractivity
37.2078
Polarizability
14.60128
Polar Surface Area
72.12
Rotatable Bonds
5
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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