Structure

InChI Key NCYVXEGFNDZQCU-UHFFFAOYSA-N
Smile CCN(CC)C(=O)c1cccnc1
InChI
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O
Molecular Weight 178.24
AlogP 1.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 33.2
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134814
ChEMBL CHEMBL2104607
DrugBank DB13655
DrugCentral 3383
EPA CompTox DTXSID9046524
FDA SRS 368IVD6M32
PubChem 5497
SureChEMBL SCHEMBL246456
ZINC ZINC000000001814