Molecule

ID:90706

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₄
Molecular Mass
289.32636
Exact Mass
289.13140809
Charge
0
InChI
InChI=1S/C16H19NO4/c1-3-20-15(18)14-9-12(2)10-17(14)16(19)21-11-13-7-5-4-6-8-13/h4-8,14H,2-3,9-11H2,1H3
InChIKey
QRYJTBYZQXCSJW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC(=C)CN1C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(=C)CC1C(=O)OCC)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.454548
LogD (pH = 7.4)
2.454548
Log P
2.454548
Molar Refractivity
77.5562
Polarizability
30.448277
Polar Surface Area
55.84
Rotatable Bonds
6
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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