Molecule

ID:58171

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO₃
Molecular Mass
243.3425
Exact Mass
243.18344367
Charge
0
InChI
InChI=1S/C13H25NO3/c1-5-16-10-11-6-8-14(9-7-11)12(15)17-13(2,3)4/h11H,5-10H2,1-4H3
InChIKey
LOEOXKMATHSFJF-UHFFFAOYSA-N
Canonic Smiles
CCOCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CCC1COCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8689094
LogD (pH = 7.4)
1.8689094
Log P
1.8689094
Molar Refractivity
67.7306
Polarizability
26.547812
Polar Surface Area
38.77
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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