Molecule

ID:54741

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆MgN₄O₈
Molecular Mass
334.48164
Exact Mass
334.00360487
Charge
0
InChI
InChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKey
QWLHYYKDLOVBNV-UHFFFAOYSA-L
Canonic Smiles
O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].[Mg+2]
Isomeric Smiles
c1(cc(=O)[nH]c(=O)[nH]1)C(=O)[O-].c1(cc(=O)[nH]c(=O)[nH]1)C(=O)[O-].[Mg+2]
Calculated Properties
JChem
Acid pKa
2.827267
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.8447902
LogD (pH = 7.4)
-4.7215567
Log P
-1.2276645
Molar Refractivity
44.1117
Polarizability
12.101853
Polar Surface Area
98.33
Rotatable Bonds
2
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