Molecule

ID:58688

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₄
Molecular Mass
258.31408
Exact Mass
258.15795719
Charge
0
InChI
InChI=1S/C12H22N2O4/c1-4-17-11(15)10(3)13-6-8-14(9-7-13)12(16)18-5-2/h10H,4-9H2,1-3H3
InChIKey
WRKCAHQLVBKFEZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)C(C(=O)OCC)C
Isomeric Smiles
C1CN(CCN1C(=O)OCC)C(C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.68819785
LogD (pH = 7.4)
0.78829426
Log P
0.78973204
Molar Refractivity
66.7778
Polarizability
26.354218
Polar Surface Area
59.08
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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