Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII MAL9M0T5LV
EPA CompTox DTXSID80202308
Parent Compound: NITROFURANTOIN

Structure

InChI Key AFDJQFFKYDCYIG-JSGFVSQVSA-M
Smiles O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1.[Na+]
InChI
InChI=1S/C8H6N4O5.Na/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;/h1-3H,4H2,(H,10,13,14);/q;+1/p-1/b9-3+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5N4NaO5
Molecular Weight 260.14
AlogP 0.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 118.05
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Bioactivity

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEMBL CHEMBL1201000
FDA SRS MAL9M0T5LV
PubChem 9562058