EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VQR444HU54
EPA CompTox	DTXSID0066404

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VQR444HU54

EPA CompTox

DTXSID0066404


InChI Key	UTXPCJHKADAFBB-UHFFFAOYSA-N
Smiles	Cl[Si](CC=1C=CC=CC1)(CC=2C=CC=CC2)CC=3C=CC=CC3
InChI	InChI=1/C21H21ClSi/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2

InChI Key

UTXPCJHKADAFBB-UHFFFAOYSA-N

Smiles

Cl[Si](CC=1C=CC=CC1)(CC=2C=CC=CC2)CC=3C=CC=CC3

InChI

InChI=1/C21H21ClSi/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2

Property Name	Value
Molecular Formula	C21H21ClSi
Molecular Weight	336.11
AlogP	5.52
Number of Rotational Bond	6.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C21H21ClSi

Molecular Weight

336.11

AlogP

5.52

Number of Rotational Bond

6.0

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	18740-59-5
NORMAN SUSDAT
FDA SRS	VQR444HU54
PubChem	87774

Resources

Reference

CAS NUMBER

18740-59-5

NORMAN SUSDAT

FDA SRS

VQR444HU54

PubChem

87774

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

TRIBENZYLCHLOROSILANE

Structure

Physicochemical Descriptors

Cross References