Molecule

ID:39808

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₅
Molecular Mass
320.3404
Exact Mass
320.13722175
Charge
0
InChI
InChI=1S/C16H20N2O5/c1-5-23-15(19)13-9(2)17-16(20)18-14(13)11-8-10(21-3)6-7-12(11)22-4/h6-8,14H,5H2,1-4H3,(H2,17,18,20)
InChIKey
WNNAWNQQPWXIOZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)NC(=O)NC1c1cc(OC)ccc1OC
Isomeric Smiles
C1(=C(NC(=O)NC1c1c(ccc(c1)OC)OC)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.56391
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9249598
LogD (pH = 7.4)
0.92495716
Log P
0.92495984
Molar Refractivity
84.3603
Polarizability
32.288025
Polar Surface Area
85.89
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation