Molecule

ID:107697

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈N₃NaO₅
Molecular Mass
309.20949
Exact Mass
309.03616465
Charge
0
InChI
InChI=1S/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1
InChIKey
ZHFPEICFUVWJIS-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1cc(/N=N/c2cccc(c2)[N+](=O)[O-])ccc1O.[Na+]
Isomeric Smiles
[Na+].Oc1ccc(cc1C(=O)[O-])/N=N/c1cccc(c1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.2277055
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
2.0716546
LogD (pH = 7.4)
0.8826679
Log P
4.323141
Molar Refractivity
87.7759
Polarizability
26.399261
Polar Surface Area
130.9
Rotatable Bonds
4
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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