Molecule

ID:44399

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N₂O₄
Molecular Mass
286.36724
Exact Mass
286.18925732
Charge
0
InChI
InChI=1S/C14H26N2O4/c1-5-19-12(17)10-15-11-6-8-16(9-7-11)13(18)20-14(2,3)4/h11,15H,5-10H2,1-4H3
InChIKey
BWSVCIPDXWEGMQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(NCC(=O)OCC)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.40005818
LogD (pH = 7.4)
0.6531406
Log P
0.7147581
Molar Refractivity
75.4472
Polarizability
30.017082
Polar Surface Area
67.87
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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