Molecule

ID:58219

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₄
Molecular Mass
175.18242
Exact Mass
175.0844579
Charge
0
InChI
InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3
InChIKey
MROVMGGCWUQHMR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC([N+](=O)[O-])(C)C
Isomeric Smiles
[N+](=O)(C(CCC(=O)OC)(C)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.86623764
LogD (pH = 7.4)
0.86623764
Log P
0.86623764
Molar Refractivity
41.9527
Polarizability
16.414026
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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