EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	575W874H6J
EPA CompTox	DTXSID1037563

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

575W874H6J

EPA CompTox

DTXSID1037563


InChI Key	ADWTYURAFSWNSU-UHFFFAOYSA-N
Smiles	Clc2ncc(CN1CCNC1=O)cc2
InChI	InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)

InChI Key

ADWTYURAFSWNSU-UHFFFAOYSA-N

Smiles

Clc2ncc(CN1CCNC1=O)cc2

InChI

InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)

Property Name	Value
Molecular Formula	C9H10Cl1N3O1
Molecular Weight	211.05
AlogP	1.46
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	48.72
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C9H10Cl1N3O1

Molecular Weight

211.05

AlogP

1.46

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

48.72

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	120868-66-8
NORMAN SUSDAT
FDA SRS	575W874H6J
PubChem	15390532
ChemSpider	10248201.0

Resources

Reference

CAS NUMBER

120868-66-8

NORMAN SUSDAT

FDA SRS

575W874H6J

PubChem

15390532

ChemSpider

10248201.0

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, 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

IMIDACLOPRID UREA

Structure

Physicochemical Descriptors

Cross References