Molecule

ID:81285

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₄
Molecular Mass
228.24504
Exact Mass
228.111007
Charge
0
InChI
InChI=1S/C10H16N2O4/c1-2-16-10(15)9(14)12-7-5-3-4-6-11-8(7)13/h7H,2-6H2,1H3,(H,11,13)(H,12,14)
InChIKey
GKEKFIBFFYCETK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)NC1CCCCNC1=O
Isomeric Smiles
N(C1C(=O)NCCCC1)C(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.533006
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.15394396
LogD (pH = 7.4)
-0.15397193
Log P
-0.1539436
Molar Refractivity
55.366
Polarizability
21.729624
Polar Surface Area
84.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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