Molecule

ID:70993

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₄
Molecular Mass
218.25022
Exact Mass
218.12665707
Charge
0
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m0/s1
InChIKey
AXLHVTKGDPVANO-LURJTMIESA-N
Canonic Smiles
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N
Isomeric Smiles
C(=O)([C@H](CNC(=O)OC(C)(C)C)N)OC
Calculated Properties
JChem
Acid pKa
14.575849
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0217932
LogD (pH = 7.4)
-0.13374324
Log P
-0.094511636
Molar Refractivity
53.3406
Polarizability
21.583197
Polar Surface Area
90.65
Rotatable Bonds
6
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