Molecule

ID:51381

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₄
Molecular Mass
269.33672
Exact Mass
269.16270822
Charge
0
InChI
InChI=1S/C14H23NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h10H,5-9H2,1-4H3
InChIKey
NJORMFNJZLXLCN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C=C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(=CC(=O)OCC)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0422277
LogD (pH = 7.4)
2.0422277
Log P
2.0422277
Molar Refractivity
72.9899
Polarizability
28.240965
Polar Surface Area
55.84
Rotatable Bonds
5
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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