Molecule

ID:133761

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₂NaO₅
Molecular Mass
212.13583
Exact Mass
212.04091568
Charge
0
InChI
InChI=1S/C6H10N2O5.Na/c7-4(9)1-8(2-5(10)11)3-6(12)13;/h1-3H2,(H2,7,9)(H,10,11)(H,12,13);/q;+1/p-1
InChIKey
QCGKKVWCABJQQI-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CN(CC(=O)O)CC(=O)N.[Na+]
Isomeric Smiles
C(C(=O)N)N(CC(=O)O)CC(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
2.308566
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-6.135132
LogD (pH = 7.4)
-8.659291
Log P
-3.8947408
Molar Refractivity
50.9012
Polarizability
15.736171
Polar Surface Area
123.76
Rotatable Bonds
6
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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