Molecule

ID:112946

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃N₃O₃
Molecular Mass
269.34002
Exact Mass
269.17394161
Charge
0
InChI
InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-9-8-15(11(16)17)10-4-6-14-7-5-10/h10,14H,4-9H2,1-3H3
InChIKey
DUEFQMDXZFHXAA-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(C1=O)C1CCNCC1)OC(C)(C)C
Isomeric Smiles
N1(C(=O)N(CC1)C1CCNCC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7788749
LogD (pH = 7.4)
-2.0939264
Log P
0.44128668
Molar Refractivity
71.0152
Polarizability
27.89546
Polar Surface Area
61.88
Rotatable Bonds
3
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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