EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	T1J0JOU64O
EPA CompTox	DTXSID6021824

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

T1J0JOU64O

EPA CompTox

DTXSID6021824


InChI Key	MDNWOSOZYLHTCG-UHFFFAOYSA-N
Smiles	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
InChI	InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

InChI Key

MDNWOSOZYLHTCG-UHFFFAOYSA-N

Smiles

Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O

InChI

InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

Property Name	Value
Molecular Formula	C13H10Cl2O2
Molecular Weight	268.01
AlogP	4.0
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	40.46
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H10Cl2O2

Molecular Weight

268.01

AlogP

4.0

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

40.46

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	97-23-4
NORMAN SUSDAT
FDA SRS	T1J0JOU64O
PubChem	3037
ChemSpider	2929.0

Resources

Reference

CAS NUMBER

97-23-4

NORMAN SUSDAT

FDA SRS

T1J0JOU64O

PubChem

3037

ChemSpider

2929.0

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

DICHLOROPHEN

Structure

Physicochemical Descriptors

Cross References