Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6070722

Structure

InChI Key KVNHQFHBRSWGHA-UHFFFAOYSA-N
Smiles [N-]=[N+]=N[Si](CCCCCC)(CCCCCC)CCCCCC
InChI
InChI=1/C18H39N3Si/c1-4-7-10-13-16-22(21-20-19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H40N3Si
Molecular Weight 325.29
AlogP 7.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 48.76
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 67859-76-1
NORMAN SUSDAT