EcoDrugPlus


Keyword(s):	Drinking Water Chemicals ; Indoor Environment Substances ; Food Contact Chemicals
Molecule Category	Free-form
UNII	MHS8C5BAUZ
EPA CompTox	DTXSID5021386

Keyword(s):

Drinking Water Chemicals ; Indoor Environment Substances ; Food Contact Chemicals

Molecule Category

Free-form

UNII

MHS8C5BAUZ

EPA CompTox

DTXSID5021386


InChI Key	LINPIYWFGCPVIE-UHFFFAOYSA-N
Smiles	Oc1c(Cl)cc(Cl)cc1Cl
InChI	InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChI Key

LINPIYWFGCPVIE-UHFFFAOYSA-N

Smiles

Oc1c(Cl)cc(Cl)cc1Cl

InChI

InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Property Name	Value
Molecular Formula	C6H3Cl3O1
Molecular Weight	195.92
AlogP	3.35
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H3Cl3O1

Molecular Weight

195.92

AlogP

3.35

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	88-06-2
NORMAN SUSDAT
FDA SRS	MHS8C5BAUZ
PubChem	6914
ChemSpider	21106172.0

Resources

Reference

CAS NUMBER

88-06-2

NORMAN SUSDAT

FDA SRS

MHS8C5BAUZ

PubChem

6914

ChemSpider

21106172.0

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

2,4,6-TRICHLOROPHENOL

Structure

Physicochemical Descriptors

Cross References