Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3391H2J6G4

Structure

InChI Key GTPMEASYQGIMLO-UHFFFAOYSA-N
Smiles CN(C)CCC1CN(C)C(=S)c2cnccc2O1
InChI
InChI=1S/C13H19N3OS/c1-15(2)7-5-10-9-16(3)13(18)11-8-14-6-4-12(11)17-10/h4,6,8,10H,5,7,9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19N3O1S1
Molecular Weight 265.12
AlogP 1.4
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 28.6
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 91833-77-1
NORMAN SUSDAT
FDA SRS 3391H2J6G4