Molecule

ID:128174

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆MgN₂O₈
Molecular Mass
316.54764
Exact Mass
316.07570718
Charge
0
InChI
InChI=1S/2C5H9NO4.Mg/c2*6-3(5(9)10)1-2-4(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKey
MYUGVHJLXONYNC-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CCC(C(=O)O)N.[O-]C(=O)CCC(C(=O)O)N.[Mg+2]
Isomeric Smiles
[Mg+2].O=C([O-])CCC(N)C(=O)O.[O-]C(=O)CCC(N)C(=O)O
Calculated Properties
JChem
Acid pKa
1.8777773
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.4458017
LogD (pH = 7.4)
-6.180975
Log P
-3.241447
Molar Refractivity
42.1248
Polarizability
12.57248
Polar Surface Area
103.45
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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