Structure

InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Smiles O=c1cc[nH]c(=O)[nH]1
InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N2O2
Molecular Weight 112.09
AlogP -0.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 65.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 8.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Streptococcus pyogenes
- - - - 2.7

Cross References

Resources Reference
CAS NUMBER 66-22-8
ChEBI 17568
ChEMBL CHEMBL566
DrugBank DB03419
FDA SRS 56HH86ZVCT
Human Metabolome Database HMDB0000300
Guide to Pharmacology 4560
KEGG C00106
PDB URA
PubChem 1174
SureChEMBL SCHEMBL8235
ZINC ZINC000000895045