EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E5VX2S4U7A
EPA CompTox	DTXSID0064179

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E5VX2S4U7A

EPA CompTox

DTXSID0064179


InChI Key	BDEVAORUDIRFGE-UHFFFAOYSA-N
Smiles	CNC(=O)N(O)c1cc(Cl)c(Cl)cc1
InChI	InChI=1S/C8H8Cl2N2O2/c1-11-8(13)12(14)5-2-3-6(9)7(10)4-5/h2-4,14H,1H3,(H,11,13)

InChI Key

BDEVAORUDIRFGE-UHFFFAOYSA-N

Smiles

CNC(=O)N(O)c1cc(Cl)c(Cl)cc1

InChI

InChI=1S/C8H8Cl2N2O2/c1-11-8(13)12(14)5-2-3-6(9)7(10)4-5/h2-4,14H,1H3,(H,11,13)

Property Name	Value
Molecular Formula	C8H8Cl2N2O2
Molecular Weight	234.0
AlogP	2.73
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	56.06
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C8H8Cl2N2O2

Molecular Weight

234.0

AlogP

2.73

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

56.06

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	6263-37-2
NORMAN SUSDAT
FDA SRS	E5VX2S4U7A
PubChem	80430
ChemSpider	72644.0

Resources

Reference

CAS NUMBER

6263-37-2

NORMAN SUSDAT

FDA SRS

E5VX2S4U7A

PubChem

80430

ChemSpider

72644.0

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...

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Last update: Monday, 3 November 2025

UREA, N-(3,4-DICHLOROPHENYL)-N-HYDROXY-N'-METHYL-

Structure

Physicochemical Descriptors

Cross References