EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	WGL0620LJ9
EPA CompTox	DTXSID5044736

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

WGL0620LJ9

EPA CompTox

DTXSID5044736


InChI Key	JNNHVXMCVRYTTN-UHFFFAOYSA-N
Smiles	Clc1ccc(cc1)C1=C2C(=O)NC(=C2C(=O)N1)c1ccc(Cl)cc1
InChI	InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8H,(H,21,24)(H,22,23)

InChI Key

JNNHVXMCVRYTTN-UHFFFAOYSA-N

Smiles

Clc1ccc(cc1)C1=C2C(=O)NC(=C2C(=O)N1)c1ccc(Cl)cc1

InChI

InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8H,(H,21,24)(H,22,23)

Property Name	Value
Molecular Formula	C18H10Cl2N2O2
Molecular Weight	356.01
AlogP	5.06
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	65.18
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H10Cl2N2O2

Molecular Weight

356.01

AlogP

5.06

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

65.18

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	84632-65-5
NORMAN SUSDAT
FDA SRS	WGL0620LJ9
PubChem	5490942
ChemSpider	4590420.0

Resources

Reference

CAS NUMBER

84632-65-5

NORMAN SUSDAT

FDA SRS

WGL0620LJ9

PubChem

5490942

ChemSpider

4590420.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PIGMENT RED 254

Structure

Physicochemical Descriptors

Cross References