Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8063961

Structure

InChI Key XDCSOOXOXIRFAA-UHFFFAOYSA-N
Smiles [N-]=[N+]=N[Si](N=[N+]=[N-])(C=1C=CC=CC1)C=2C=CC=CC2
InChI
InChI=1/C12H10N6Si/c13-15-17-19(18-16-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N6Si
Molecular Weight 266.07
AlogP 2.86
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 97.52
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 5599-39-3
NORMAN SUSDAT