Molecule

ID:41109

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₀N₂O₄
Molecular Mass
376.4052
Exact Mass
376.14230713
Charge
0
InChI
InChI=1S/C22H20N2O4/c1-3-27-21(25)18-17(15-11-7-5-8-12-15)19(16-13-9-6-10-14-16)23-24-20(18)22(26)28-4-2/h5-14H,3-4H2,1-2H3
InChIKey
FZPHDBHSGNKLBL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(nnc(c1c1ccccc1)c1ccccc1)C(=O)OCC
Isomeric Smiles
c1(c(nnc(c1c1ccccc1)c1ccccc1)C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.3625245
LogD (pH = 7.4)
4.3625245
Log P
4.3625245
Molar Refractivity
106.8406
Polarizability
43.018997
Polar Surface Area
78.38
Rotatable Bonds
8
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