Molecule

ID:32177

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈N₂O₄
Molecular Mass
300.39382
Exact Mass
300.20490739
Charge
0
InChI
InChI=1S/C15H28N2O4/c1-14(2,3)20-12(18)16-8-7-9-17(11-10-16)13(19)21-15(4,5)6/h7-11H2,1-6H3
InChIKey
YENPYEPLMXORII-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCN(CC1)C(=O)OC(C)(C)C)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(C(=O)OC(C)(C)C)CCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.897539
LogD (pH = 7.4)
1.897539
Log P
1.897539
Molar Refractivity
80.3044
Polarizability
31.472929
Polar Surface Area
59.08
Rotatable Bonds
4
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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