Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AZC8O4TTX4
EPA CompTox DTXSID1036545

Structure

InChI Key NLSXASIDNWDYMI-UHFFFAOYSA-N
Smiles O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
InChI
InChI=1/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16OSi
Molecular Weight 276.1
AlogP 1.65
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 791-31-1
NORMAN SUSDAT
FDA SRS AZC8O4TTX4
PubChem 69925