Molecule

ID:64905

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₄
Molecular Mass
304.341
Exact Mass
304.14230713
Charge
0
InChI
InChI=1S/C16H20N2O4/c1-5-21-14(19)12-10-8-6-7-9-11(10)17-13(12)18-15(20)22-16(2,3)4/h6-9,17H,5H2,1-4H3,(H,18,20)
InChIKey
UQCCBKFSBGPNMA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(NC(=O)OC(C)(C)C)[nH]c2c1cccc2
Isomeric Smiles
c1ccc2[nH]c(c(c2c1)C(=O)OCC)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
9.935195
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4325309
LogD (pH = 7.4)
3.4314353
Log P
3.432545
Molar Refractivity
83.4639
Polarizability
32.901665
Polar Surface Area
80.42
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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