EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID3074737

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID3074737


InChI Key	UKVLTPAGJIYSGN-UHFFFAOYSA-N
Smiles	OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChI	InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2

InChI Key

UKVLTPAGJIYSGN-UHFFFAOYSA-N

Smiles

OC(Cn1ccnc1)c1ccc(Cl)cc1Cl

InChI

InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2

Property Name	Value
Molecular Formula	C11H10Cl2N2O1
Molecular Weight	256.02
AlogP	2.92
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	38.05
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H10Cl2N2O1

Molecular Weight

256.02

AlogP

2.92

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

38.05

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	24155-42-8
NORMAN SUSDAT
PubChem	32238
ChemSpider	29896.0

Resources

Reference

CAS NUMBER

24155-42-8

NORMAN SUSDAT

PubChem

32238

ChemSpider

29896.0

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

1H-IMIDAZOLE-1-ETHANOL, ?-(2,4-DICHLOROPHENYL)-

Structure

Physicochemical Descriptors

Cross References