Molecule

ID:59446

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-3-20-14(18)11-8-12-17-15(16(19)21-4-2)13-9-6-5-7-10-13/h5-7,9-10,15,17H,3-4,8,11-12H2,1-2H3
InChIKey
KYSYDMRIDQNVGE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCNC(c1ccccc1)C(=O)OCC
Isomeric Smiles
C(=O)(CCCNC(c1ccccc1)C(=O)OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9353092
LogD (pH = 7.4)
2.2253013
Log P
2.2305956
Molar Refractivity
79.7103
Polarizability
31.799547
Polar Surface Area
64.63
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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