Molecule

ID:68107

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₄
Molecular Mass
244.2875
Exact Mass
244.14230713
Charge
0
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3
InChIKey
BRXKHIPPSTYCKO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CNCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(CNCC1)C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.848844
LogD (pH = 7.4)
0.3082839
Log P
0.39021987
Molar Refractivity
61.0429
Polarizability
24.525623
Polar Surface Area
67.87
Rotatable Bonds
4
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