EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DCG8RN5365
EPA CompTox	DTXSID70233227

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DCG8RN5365

EPA CompTox

DTXSID70233227


InChI Key	KNHKDAVYOIBWDF-UHFFFAOYSA-N
Smiles	Clc1c(Cl)cc(cc1)c1ncc(o1)c1ccccc1
InChI	InChI=1S/C15H9Cl2NO/c16-12-7-6-11(8-13(12)17)15-18-9-14(19-15)10-4-2-1-3-5-10/h1-9H

InChI Key

KNHKDAVYOIBWDF-UHFFFAOYSA-N

Smiles

Clc1c(Cl)cc(cc1)c1ncc(o1)c1ccccc1

InChI

InChI=1S/C15H9Cl2NO/c16-12-7-6-11(8-13(12)17)15-18-9-14(19-15)10-4-2-1-3-5-10/h1-9H

Property Name	Value
Molecular Formula	C15H9Cl2N1O1
Molecular Weight	289.01
AlogP	5.32
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.03
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H9Cl2N1O1

Molecular Weight

289.01

AlogP

5.32

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.03

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	84282-08-6
NORMAN SUSDAT
FDA SRS	DCG8RN5365
PubChem	3019824
ChemSpider	2286901.0

Resources

Reference

CAS NUMBER

84282-08-6

NORMAN SUSDAT

FDA SRS

DCG8RN5365

PubChem

3019824

ChemSpider

2286901.0

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

2-(3,4-DICHLOROPHENYL)-5-PHENYLOXAZOLE

Structure

Physicochemical Descriptors

Cross References