Molecule

ID:109213

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₄NaO₅
Molecular Mass
354.29317
Exact Mass
354.09401388
Charge
0
InChI
InChI=1S/C8H10N4O2.C7H6O3.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10;/h4H,1-3H3;1-4,8H,(H,9,10);/q;;+1/p-1
InChIKey
MJZVAJZDKMFTBN-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1ccccc1O.Cn1cnc2c1c(=O)n(C)c(=O)n2C.[Na+]
Isomeric Smiles
[Na+].Oc1ccccc1C(=O)[O-].Cn1cnc2c1c(=O)n(C)c(=O)n2C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5456457
LogD (pH = 7.4)
-0.5456456
Log P
-0.5456456
Molar Refractivity
49.8312
Polarizability
17.868532
Polar Surface Area
58.44
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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