Molecule

ID:133615

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂Na₂O₅
Molecular Mass
234.11766
Exact Mass
234.02285993
Charge
0
InChI
InChI=1S/C6H10N2O5.2Na/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;2*+1/p-2
InChIKey
UFJHJSRPIBTMAS-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CN(CC(=O)N)CC(=O)[O-].[Na+].[Na+]
Isomeric Smiles
C(C(=O)N)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
2.308566
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-6.135132
LogD (pH = 7.4)
-8.659291
Log P
-3.8947408
Molar Refractivity
61.7383
Polarizability
15.617662
Polar Surface Area
126.59
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation