Molecule

ID:54381

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₄
Molecular Mass
337.36916
Exact Mass
337.13140809
Charge
0
InChI
InChI=1S/C20H19NO4/c1-3-25-20(23)17-13-21(12-14-8-10-15(24-2)11-9-14)18-7-5-4-6-16(18)19(17)22/h4-11,13H,3,12H2,1-2H3
InChIKey
XULQOYCVMJYMDO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn(Cc2ccc(cc2)OC)c2c(c1=O)cccc2
Isomeric Smiles
c1(cn(c2c(c1=O)cccc2)Cc1ccc(cc1)OC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6759417
LogD (pH = 7.4)
3.6759427
Log P
3.6759427
Molar Refractivity
95.9213
Polarizability
36.30925
Polar Surface Area
55.84
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