Molecule

ID:70720

General Information
Structure
Molecular Formula
C₁₂H₂₁NO₅
Molecular Mass
259.29884
Exact Mass
259.14197278
Charge
0
InChI
InChI=1S/C12H21NO5/c1-5-16-10(14)9-8-13(6-7-17-9)11(15)18-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
WOCMUJFSDGAHNY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1OCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(OCC1)C(=O)OCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0644557
LogD (pH = 7.4)
1.0644557
Log P
1.0644557
Molar Refractivity
64.1106
Polarizability
25.56365
Polar Surface Area
65.07
Rotatable Bonds
5
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