Molecule

ID:90707

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₄
Molecular Mass
291.34224
Exact Mass
291.14705816
Charge
0
InChI
InChI=1S/C16H21NO4/c1-3-20-15(18)14-9-12(2)10-17(14)16(19)21-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12?,14-/m0/s1
InChIKey
ZRTBRMPHUTWHDH-PYMCNQPYSA-N
Canonic Smiles
CCOC(=O)[C@@H]1CC(CN1C(=O)OCc1ccccc1)C
Isomeric Smiles
N1(CC(C[C@H]1C(=O)OCC)C)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.72424
LogD (pH = 7.4)
2.72424
Log P
2.72424
Molar Refractivity
77.8557
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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