Molecule

ID:58020

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₄
Molecular Mass
291.34224
Exact Mass
291.14705816
Charge
0
InChI
InChI=1S/C16H21NO4/c1-20-14-5-3-13(4-6-14)16(19)17-9-7-12(8-10-17)11-15(18)21-2/h3-6,12H,7-11H2,1-2H3
InChIKey
BJAHQELYQBDOCD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)C(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=O)(N1CCC(CC(=O)OC)CC1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5211717
LogD (pH = 7.4)
1.5211731
Log P
1.5211731
Molar Refractivity
79.1191
Polarizability
30.468203
Polar Surface Area
55.84
Rotatable Bonds
5
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
References
Bioactivity
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