Structure

InChI Key AJOQSQHYDOFIOX-UHFFFAOYSA-N
Smile CCC(C(=O)NC(N)=O)c1ccccc1
InChI
InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N2O2
Molecular Weight 206.25
AlogP 1.38
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 72.19
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 31989
ChEMBL CHEMBL2107062
DrugBank DB13362
DrugCentral 2125
EPA CompTox DTXSID4020612
FDA SRS 878CEJ4HGX
KEGG C12590
PubChem 72060
SureChEMBL SCHEMBL35066