Molecule

ID:45324

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₆
Molecular Mass
236.22244
Exact Mass
236.10083624
Charge
0
InChI
InChI=1S/C6H14N2O2.C2H2O4/c7-6(10)2-4-8-3-1-5-9;3-1(4)2(5)6/h8-9H,1-5H2,(H2,7,10);(H,3,4)(H,5,6)
InChIKey
ASKGERVAJRTARQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.OCCCNCCC(=O)N
Isomeric Smiles
C(=O)(C(=O)O)O.C(=O)(CCNCCCO)N
Calculated Properties
JChem
Acid pKa
15.853953
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-5.067696
LogD (pH = 7.4)
-3.879431
Log P
-1.9149673
Molar Refractivity
38.4573
Polarizability
15.164111
Polar Surface Area
75.35
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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