EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CL5Y02756K
EPA CompTox	DTXSID6046979

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CL5Y02756K

EPA CompTox

DTXSID6046979


InChI Key	JCICIFOYVSPMHG-UHFFFAOYSA-N
Smiles	Clc1cccc(Cl)c1N1C(=O)Cc2ccccc12
InChI	InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2

InChI Key

JCICIFOYVSPMHG-UHFFFAOYSA-N

Smiles

Clc1cccc(Cl)c1N1C(=O)Cc2ccccc12

InChI

InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2

Property Name	Value
Molecular Formula	C14H9Cl2N1O1
Molecular Weight	277.01
AlogP	4.21
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.31
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H9Cl2N1O1

Molecular Weight

277.01

AlogP

4.21

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.31

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	15362-40-0
NORMAN SUSDAT
FDA SRS	CL5Y02756K
PubChem	27211
ChemSpider	25325.0

Resources

Reference

CAS NUMBER

15362-40-0

NORMAN SUSDAT

FDA SRS

CL5Y02756K

PubChem

27211

ChemSpider

25325.0

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

1-(2,6-DICHLOROPHENYL)-2-INDOLINONE

Structure

Physicochemical Descriptors

Cross References