Molecule

ID:63409

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₇NO₄
Molecular Mass
321.41128
Exact Mass
321.19400835
Charge
0
InChI
InChI=1S/C18H27NO4/c1-4-22-17(20)11-12-19(14-16-9-7-6-8-10-16)15(3)13-18(21)23-5-2/h6-10,15H,4-5,11-14H2,1-3H3
InChIKey
IIGVDNNGQSLPPC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN(C(CC(=O)OCC)C)Cc1ccccc1
Isomeric Smiles
N(CCC(=O)OCC)(C(C)CC(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.44181406
LogD (pH = 7.4)
1.1444879
Log P
2.7666137
Molar Refractivity
89.6229
Polarizability
35.480747
Polar Surface Area
55.84
Rotatable Bonds
12
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