Molecule

ID:75114

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₄
Molecular Mass
291.34224
Exact Mass
291.14705816
Charge
0
InChI
InChI=1S/C16H21NO4/c1-2-20-15(18)14-9-6-10-17(11-14)16(19)21-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKey
NJRONXOELMBCSE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(C(=O)OCC)CCC1)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4925482
LogD (pH = 7.4)
2.4925482
Log P
2.4925482
Molar Refractivity
78.2411
Polarizability
30.693327
Polar Surface Area
55.84
Rotatable Bonds
6
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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