Molecule

ID:80415

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO₄
Molecular Mass
259.3419
Exact Mass
259.17835829
Charge
0
InChI
InChI=1S/C13H25NO4/c1-5-17-12(15)7-9-14(11(3)4)10-8-13(16)18-6-2/h11H,5-10H2,1-4H3
InChIKey
BMLICZLCSBWNEJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN(C(C)C)CCC(=O)OCC
Isomeric Smiles
N(CCC(=O)OCC)(CCC(=O)OCC)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.9440255
LogD (pH = 7.4)
-0.5511307
Log P
1.3989486
Molar Refractivity
69.7589
Polarizability
27.750528
Polar Surface Area
55.84
Rotatable Bonds
11
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
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References
Bioactivity
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