EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8I196F2UJ0
EPA CompTox	DTXSID10170763

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8I196F2UJ0

EPA CompTox

DTXSID10170763


InChI Key	PYIPVTMVCJRGJU-UHFFFAOYSA-N
Smiles	C[Si]1(C)OC(=O)C2=CC=CC=C2O1;C[Si]1(C)OC(=O)c2ccccc2O1
InChI	InChI=1S/C9H10O3Si/c1-13(2)11-8-6-4-3-5-7(8)9(10)12-13/h3-6H,1-2H3

InChI Key

PYIPVTMVCJRGJU-UHFFFAOYSA-N

Smiles

C[Si]1(C)OC(=O)C2=CC=CC=C2O1;C[Si]1(C)OC(=O)c2ccccc2O1

InChI

InChI=1S/C9H10O3Si/c1-13(2)11-8-6-4-3-5-7(8)9(10)12-13/h3-6H,1-2H3

Property Name	Value
Molecular Formula	C9H10O3Si1
Molecular Weight	194.04
AlogP	1.94
Hydrogen Bond Acceptor	3.0
Polar Surface Area	35.53
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H10O3Si1

Molecular Weight

194.04

AlogP

1.94

Hydrogen Bond Acceptor

3.0

Polar Surface Area

35.53

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	17902-57-7
NORMAN SUSDAT
FDA SRS	8I196F2UJ0

Resources

Reference

CAS NUMBER

17902-57-7

NORMAN SUSDAT

FDA SRS

8I196F2UJ0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIMETHYL OXOBENZO DIOXASILANE

Structure

Physicochemical Descriptors

Cross References