Molecule

ID:16219

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₄
Molecular Mass
243.29944
Exact Mass
243.14705816
Charge
0
InChI
InChI=1S/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
PKDQVUYUWUHNMG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CN(C1)C(=O)OC(C)(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3774661
LogD (pH = 7.4)
1.3774661
Log P
1.3774661
Molar Refractivity
62.8331
Polarizability
24.824814
Polar Surface Area
55.84
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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