Molecule

ID:43521

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-3-21-15(19)17-10-8-16(9-11-17)13-6-4-12(5-7-13)14(18)20-2/h4-7H,3,8-11H2,1-2H3
InChIKey
RYIWQNMEHWPHSS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)OC
Isomeric Smiles
N1(C(=O)OCC)CCN(c2ccc(C(=O)OC)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.134848
LogD (pH = 7.4)
2.1348794
Log P
2.1348796
Molar Refractivity
79.2054
Polarizability
29.987772
Polar Surface Area
59.08
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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