Molecule

ID:88410

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₄
Molecular Mass
308.37276
Exact Mass
308.17360726
Charge
0
InChI
InChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)17-12-10-8-7-9-11-12/h7-11,17H,1-6H3
InChIKey
OUFGITXACHEQGI-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C(=O)OC(C)(C)C)Nc1ccccc1)OC(C)(C)C
Isomeric Smiles
N(Nc1ccccc1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.743516
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.4070244
LogD (pH = 7.4)
4.4070244
Log P
4.407025
Molar Refractivity
84.5708
Polarizability
32.565323
Polar Surface Area
67.87
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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