Molecule

ID:65288

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈N₂O₄
Molecular Mass
312.40452
Exact Mass
312.20490739
Charge
0
InChI
InChI=1S/C16H28N2O4/c1-5-21-13(19)12-10-16(11-17-12)6-8-18(9-7-16)14(20)22-15(2,3)4/h12,17H,5-11H2,1-4H3
InChIKey
WXRWBESBLVCYGR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1NCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C12(CCN(CC1)C(=O)OC(C)(C)C)CNC(C2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.44753775
LogD (pH = 7.4)
1.0614662
Log P
1.2917831
Molar Refractivity
82.677
Polarizability
32.966583
Polar Surface Area
67.87
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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