Molecule

ID:43061

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₄
Molecular Mass
272.34066
Exact Mass
272.17360726
Charge
0
InChI
InChI=1S/C13H24N2O4/c1-5-18-11(16)10-14-8-6-7-9-15(14)12(17)19-13(2,3)4/h5-10H2,1-4H3
InChIKey
IGRWWVVKROCJOT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1N(CC(=O)OCC)CCCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1224141
LogD (pH = 7.4)
1.1224158
Log P
1.1224158
Molar Refractivity
71.0285
Polarizability
28.088882
Polar Surface Area
59.08
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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