Molecule

ID:136814

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂Na₄O₈
Molecular Mass
436.27628
Exact Mass
436.08104273
Charge
0
InChI
InChI=1S/C14H24N2O8.4Na/c17-11(18)1-5-15(6-2-12(19)20)9-10-16(7-3-13(21)22)8-4-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
InChIKey
CJVPOGPEEJPBFT-UHFFFAOYSA-J
Canonic Smiles
[Na]OC(=O)CCN(CCC(=O)O[Na])CCN(CCC(=O)O[Na])CCC(=O)O[Na]
Isomeric Smiles
C(CN(CCC(=O)O[Na])CCN(CCC(=O)O[Na])CCC(=O)O[Na])C(=O)O[Na]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-3.385816
LogD (pH = 7.4)
-1.52498
Log P
0.2732
Molar Refractivity
77.4328
Polarizability
39.509697
Polar Surface Area
111.68
Rotatable Bonds
19
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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