Molecule

ID:128610

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂O₄
Molecular Mass
274.35654
Exact Mass
274.18925732
Charge
0
InChI
InChI=1S/C13H26N2O4/c1-6-10(4)13(5,7-18-11(14)16)8-19-12(17)15-9(2)3/h9-10H,6-8H2,1-5H3,(H2,14,16)(H,15,17)
InChIKey
CBDPCXYQNVDTMW-UHFFFAOYSA-N
Canonic Smiles
CCC(C(COC(=O)N)(COC(=O)NC(C)C)C)C
Isomeric Smiles
O=C(OCC(COC(=O)NC(C)C)(C)C(C)CC)N
Calculated Properties
JChem
Acid pKa
15.11902
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2113311
LogD (pH = 7.4)
2.2113311
Log P
2.2113311
Molar Refractivity
71.6494
Polarizability
28.524864
Polar Surface Area
90.65
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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