Molecule

ID:43771

General Information
Structure
Molecular Formula
C₁₆H₂₀N₂O₄
Molecular Mass
304.341
Exact Mass
304.14230713
Charge
0
InChI
InChI=1S/C16H20N2O4/c1-5-22-15(19)13-10(2)18(3)16(20)17-14(13)11-8-6-7-9-12(11)21-4/h6-9,14H,5H2,1-4H3,(H,17,20)
InChIKey
GMSGJVLSLJWIQD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1OC
Isomeric Smiles
C1(=C(N(C(=O)NC1c1c(OC)cccc1)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.244862
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3063072
LogD (pH = 7.4)
1.3063066
Log P
1.3063072
Molar Refractivity
82.7938
Polarizability
31.58077
Polar Surface Area
67.87
Rotatable Bonds
5
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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