Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40966116

Structure

InChI Key LTPWXPXNKXNETK-UHFFFAOYSA-N
Smiles SC1=NC2CCCC2CN1
InChI
InChI=1/C7H12N2S/c10-7-8-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12N2S
Molecular Weight 156.07
AlogP 1.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 24.39
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 51793-51-2
NORMAN SUSDAT