Molecule

ID:105856

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂Na₂O₁₀
Molecular Mass
372.23686
Exact Mass
372.07568335
Charge
0
InChI
InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
InChIKey
OVBJJZOQPCKUOR-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)[O-].O.O.[Na+].[Na+]
Isomeric Smiles
O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
1.486185
H Acceptors
10
H Donor
2
LogD (pH = 5.5)
-10.586659
LogD (pH = 7.4)
-14.721412
Log P
-5.221795
Molar Refractivity
84.0198
Polarizability
24.457794
Polar Surface Area
161.34
Rotatable Bonds
11
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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