Molecule

ID:41701

General Information
Structure
Molecular Formula
C₁₆H₂₁NO₄
Molecular Mass
291.34224
Exact Mass
291.14705816
Charge
0
InChI
InChI=1S/C16H21NO4/c1-3-21-16(19)13-8-10-17(11-9-13)15(18)12-4-6-14(20-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3
InChIKey
ARNMYHLLAXDMNT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=O)(N1CCC(C(=O)OCC)CC1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6893781
LogD (pH = 7.4)
1.6893796
Log P
1.6893796
Molar Refractivity
79.2926
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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