EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID2041383

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID2041383


InChI Key	METVSRFIOHSNJX-UHFFFAOYSA-N
Smiles	ClC[Si]12OCCN(CCO1)CCO2
InChI	InChI=1/C7H14ClNO3Si/c8-7-13-10-4-1-9(2-5-11-13)3-6-12-13/h1-7H2

InChI Key

METVSRFIOHSNJX-UHFFFAOYSA-N

Smiles

ClC[Si]12OCCN(CCO1)CCO2

InChI

InChI=1/C7H14ClNO3Si/c8-7-13-10-4-1-9(2-5-11-13)3-6-12-13/h1-7H2

Property Name	Value
Molecular Formula	C7H14ClNO3Si
Molecular Weight	223.04
AlogP	0.08
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	1.0
Polar Surface Area	30.93
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H14ClNO3Si

Molecular Weight

223.04

AlogP

0.08

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

1.0

Polar Surface Area

30.93

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	42003-39-4
NORMAN SUSDAT
PubChem	362521

Resources

Reference

CAS NUMBER

42003-39-4

NORMAN SUSDAT

PubChem

362521

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...

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Last update: Monday, 3 November 2025

1-(CHLOROMETHYL)-2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDECANE

Structure

Physicochemical Descriptors

Cross References