Structure

InChI Key TZGBBMBARSFJBG-UKTHLTGXSA-N
Smile NC(=O)N/N=C1\C=Cc2ccccc2C1=O
InChI
InChI=1S/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6H,(H3,12,14,16)/b13-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H9N3O2
Molecular Weight 215.21
AlogP 0.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 84.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 134890
ChEMBL CHEMBL2106794
DrugBank DB13680
DrugCentral 1871
FDA SRS 15B0523P5L
PubChem 5775429
SureChEMBL SCHEMBL1697156
ZINC ZINC000018163569