Molecule

ID:39366

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₆
Molecular Mass
261.27166
Exact Mass
261.12123733
Charge
0
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(17)12-7(6-9(15)16)4-5-8(13)14/h7H,4-6H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)
InChIKey
BWZYMMYMEYGJOL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(NC(=O)OC(C)(C)C)CCC(=O)O
Isomeric Smiles
C(CC(CC(=O)O)NC(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9538617
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.8050025
LogD (pH = 7.4)
-5.2585106
Log P
0.6450589
Molar Refractivity
60.785
Polarizability
24.128103
Polar Surface Area
112.93
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