EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HD7ZRU9RM7
EPA CompTox	DTXSID20165625

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HD7ZRU9RM7

EPA CompTox

DTXSID20165625


InChI Key	DOVGZPJULHERQI-UHFFFAOYSA-N
Smiles	CN(C)C(=O)Nc1c(Cl)ccc(Cl)c1
InChI	InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)

InChI Key

DOVGZPJULHERQI-UHFFFAOYSA-N

Smiles

CN(C)C(=O)Nc1c(Cl)ccc(Cl)c1

InChI

InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)

Property Name	Value
Molecular Formula	C9H10Cl2N2O1
Molecular Weight	232.02
AlogP	3.1
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	35.83
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C9H10Cl2N2O1

Molecular Weight

232.02

AlogP

3.1

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

35.83

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	15441-87-9
NORMAN SUSDAT
FDA SRS	HD7ZRU9RM7
PubChem	84914
ChemSpider	76604.0

Resources

Reference

CAS NUMBER

15441-87-9

NORMAN SUSDAT

FDA SRS

HD7ZRU9RM7

PubChem

84914

ChemSpider

76604.0

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

3-(2,5-DICHLOROPHENYL)-1,1-DIMETHYLUREA

Structure

Physicochemical Descriptors

Cross References