EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FF8K1OFR5M
EPA CompTox	DTXSID80229939

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FF8K1OFR5M

EPA CompTox

DTXSID80229939


InChI Key	WJZSSXLAIVPJLA-UHFFFAOYSA-N
Smiles	Oc1ccc(cc1)-c1c(Cl)cccc1Cl
InChI	InChI=1S/C12H8Cl2O/c13-10-2-1-3-11(14)12(10)8-4-6-9(15)7-5-8/h1-7,15H

InChI Key

WJZSSXLAIVPJLA-UHFFFAOYSA-N

Smiles

Oc1ccc(cc1)-c1c(Cl)cccc1Cl

InChI

InChI=1S/C12H8Cl2O/c13-10-2-1-3-11(14)12(10)8-4-6-9(15)7-5-8/h1-7,15H

Property Name	Value
Molecular Formula	C12H8Cl2O1
Molecular Weight	238.0
AlogP	4.37
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H8Cl2O1

Molecular Weight

238.0

AlogP

4.37

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	79881-33-7
NORMAN SUSDAT
FDA SRS	FF8K1OFR5M
PubChem	157586
ChemSpider	138675.0

Resources

Reference

CAS NUMBER

79881-33-7

NORMAN SUSDAT

FDA SRS

FF8K1OFR5M

PubChem

157586

ChemSpider

138675.0

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

2,6-DICHLORO-4'-BIPHENYLOL

Structure

Physicochemical Descriptors

Cross References