SODIUM GLYCIDIDAZOLE

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Synonyms
Status
Molecule Category Salt-form
UNII 5YV419FIJS
EPA CompTox DTXSID60432742

Structure

InChI Key FWYUJENICVGSJH-UHFFFAOYSA-M
Smiles Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN(CC(=O)[O-])CC(=O)OCCn1c([N+](=O)[O-])cnc1C.[Na+]
InChI
InChI=1S/C18H23N7O10.Na/c1-12-19-7-14(24(30)31)22(12)3-5-34-17(28)10-21(9-16(26)27)11-18(29)35-6-4-23-13(2)20-8-15(23)25(32)33;/h7-8H,3-6,9-11H2,1-2H3,(H,26,27);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N7NaO10
Molecular Weight 519.4
AlogP -0.31
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 215.06
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 35.0

Cross References

Resources Reference
ChEMBL CHEMBL4297660
FDA SRS 5YV419FIJS
PubChem 9914614
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