Molecule

ID:55506

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₂
Molecular Mass
213.27676
Exact Mass
213.14772686
Charge
0
InChI
InChI=1S/C10H19N3O2/c11-9-1-3-12(4-2-9)10(14)13-5-7-15-8-6-13/h9H,1-8,11H2
InChIKey
GIIKHDPHNRGQMF-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)N1CCOCC1
Isomeric Smiles
C1OCCN(C1)C(=O)N1CCC(CC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.4942775
LogD (pH = 7.4)
-3.9253094
Log P
-1.4764522
Molar Refractivity
57.1857
Polarizability
22.283697
Polar Surface Area
58.8
Rotatable Bonds
0
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