Structure

InChI Key LOIYMIARKYCTBW-UPHRSURJSA-N
Smile O=C(O)/C=C\c1c[nH]cn1
InChI
InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6N2O2
Molecular Weight 138.13
AlogP 0.51
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 65.98
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dry Eye Syndromes 1 D015352 ClinicalTrials

Cross References

Resources Reference
ChEBI 30818
ChEMBL CHEMBL1316726
FDA SRS 5LM7WD7VIC
SureChEMBL SCHEMBL1755678
ZINC ZINC000013524067