EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60583566

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60583566


InChI Key	LEZHOZPJYAQQNU-UVTDQMKNSA-N
Smiles	Clc1ncc(cc1)CN2C(=N/C(=O)N)/SCC2
InChI	InChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)/b14-10-

InChI Key

LEZHOZPJYAQQNU-UVTDQMKNSA-N

Smiles

Clc1ncc(cc1)CN2C(=N/C(=O)N)/SCC2

InChI

InChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)/b14-10-

Property Name	Value
Molecular Formula	C10H11Cl1N4O1S1
Molecular Weight	270.03
AlogP	2.13
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	72.57
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H11Cl1N4O1S1

Molecular Weight

270.03

AlogP

2.13

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

72.57

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	676228-91-4
NORMAN SUSDAT
PubChem	16212161
ChemSpider	17340044.0

Resources

Reference

CAS NUMBER

676228-91-4

NORMAN SUSDAT

PubChem

16212161

ChemSpider

17340044.0

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

THIACLOPRID AMIDE

Structure

Physicochemical Descriptors

Cross References