Molecule

ID:44138

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₅
Molecular Mass
309.35752
Exact Mass
309.15762284
Charge
0
InChI
InChI=1S/C16H23NO5/c1-5-20-15(19)11-9-10(14(18)22-16(2,3)4)13(17-11)12-7-6-8-21-12/h6-8,10-11,13,17H,5,9H2,1-4H3
InChIKey
MQXVIECQDKYSBE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC(C(N1)c1ccco1)C(=O)OC(C)(C)C
Isomeric Smiles
C1(C(NC(C1)C(=O)OCC)c1occc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7577127
LogD (pH = 7.4)
1.8275855
Log P
1.8285531
Molar Refractivity
78.9163
Polarizability
31.666546
Polar Surface Area
77.77
Rotatable Bonds
7
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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