Molecule

ID:82948

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₄
Molecular Mass
305.36882
Exact Mass
305.16270822
Charge
0
InChI
InChI=1S/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChIKey
LDUSEIANLSWKPY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCC(N1Cc1ccccc1)C(=O)OCC
Isomeric Smiles
N1(C(CCC1C(=O)OCC)C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5781536
LogD (pH = 7.4)
2.7038603
Log P
2.7057233
Molar Refractivity
82.8369
Polarizability
32.915966
Polar Surface Area
55.84
Rotatable Bonds
8
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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