Molecule

ID:111086

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₄
Molecular Mass
228.24504
Exact Mass
228.111007
Charge
0
InChI
InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
InChIKey
BGRWYDHXPHLNKA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N(C(=O)C)CCN(C(=O)C)C(=O)C
Isomeric Smiles
CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.8075329
LogD (pH = 7.4)
-1.8075329
Log P
-1.8075329
Molar Refractivity
55.888
Polarizability
21.83103
Polar Surface Area
74.76
Rotatable Bonds
3
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
References
Bioactivity
Navigation