Molecule

ID:53243

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈N₂O₃
Molecular Mass
272.38372
Exact Mass
272.20999277
Charge
0
InChI
InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-9-5-6-12(7-10-16)15-8-11-18-4/h12,15H,5-11H2,1-4H3
InChIKey
ANMHWVMOKKMGRY-UHFFFAOYSA-N
Canonic Smiles
COCCNC1CCCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CCN(CC1)C(=O)OC(C)(C)C)NCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0091438
LogD (pH = 7.4)
-1.2344328
Log P
1.2044599
Molar Refractivity
75.533
Polarizability
29.914162
Polar Surface Area
50.8
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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