Structure

InChI Key PNXBXCRWXNESOV-UHFFFAOYSA-N
Smile Oc1cc(Cc2ccccc2)nc(S)n1
InChI
InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10N2OS
Molecular Weight 218.28
AlogP 2.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 46.01
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134902
ChEMBL CHEMBL1491306
DrugBank DB13804
DrugCentral 339
EPA CompTox DTXSID30873587
FDA SRS PZ35LUM333
PubChem 685814
SureChEMBL SCHEMBL815137
ZINC ZINC000008580452