Molecule

ID:61660

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₄
Molecular Mass
241.28356
Exact Mass
241.13140809
Charge
0
InChI
InChI=1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3
InChIKey
WYWJZDFQQJTRDD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(=CC(=O)OCC)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4649053
LogD (pH = 7.4)
1.4649053
Log P
1.4649053
Molar Refractivity
63.4799
Polarizability
24.576635
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
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References
Bioactivity
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