Molecule

ID:38643

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO₄
Molecular Mass
367.4382
Exact Mass
367.17835829
Charge
0
InChI
InChI=1S/C22H25NO4/c1-14(2)12-22(3,20(24)25)23-21(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
LKQDQIGTIVQHMG-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)O)(NC(=O)OCC1c2ccccc2c2c1cccc2)C)C
Isomeric Smiles
CC(CC(C)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)C
Calculated Properties
JChem
Acid pKa
3.9140084
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1399972
LogD (pH = 7.4)
1.5258955
Log P
4.732193
Molar Refractivity
102.964
Polarizability
41.36471
Polar Surface Area
75.63
Rotatable Bonds
7
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