EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	83AG4X9EPE
EPA CompTox	DTXSID7066275

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

83AG4X9EPE

EPA CompTox

DTXSID7066275


InChI Key	HWKPTBHJWBSOOP-UHFFFAOYSA-N
Smiles	BrC1=CC=C(O[Si](C)(C)C)C=C1
InChI	InChI=1/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3

InChI Key

HWKPTBHJWBSOOP-UHFFFAOYSA-N

Smiles

BrC1=CC=C(O[Si](C)(C)C)C=C1

InChI

InChI=1/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3

Property Name	Value
Molecular Formula	C9H13BrOSi
Molecular Weight	243.99
AlogP	3.66
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	9.23
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H13BrOSi

Molecular Weight

243.99

AlogP

3.66

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

9.23

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	17878-44-3
NORMAN SUSDAT
FDA SRS	83AG4X9EPE
PubChem	87350

Resources

Reference

CAS NUMBER

17878-44-3

NORMAN SUSDAT

FDA SRS

83AG4X9EPE

PubChem

87350

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

(4-BROMOPHENOXY)TRIMETHYLSILANE

Structure

Physicochemical Descriptors

Cross References