EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60180978

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60180978


InChI Key	NHOATJNESSAPCQ-UHFFFAOYSA-N
Smiles	Oc1c(Cl)c(O)c(Cl)cc1Cl
InChI	InChI=1S/C6H3Cl3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H

InChI Key

NHOATJNESSAPCQ-UHFFFAOYSA-N

Smiles

Oc1c(Cl)c(O)c(Cl)cc1Cl

InChI

InChI=1S/C6H3Cl3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H

Property Name	Value
Molecular Formula	C6H3Cl3O2
Molecular Weight	211.92
AlogP	3.06
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H3Cl3O2

Molecular Weight

211.92

AlogP

3.06

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	26378-73-4
NORMAN SUSDAT
PubChem	93100
ChemSpider	84047.0

Resources

Reference

CAS NUMBER

26378-73-4

NORMAN SUSDAT

PubChem

93100

ChemSpider

84047.0

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-TRICHLORORESORCINOL

Structure

Physicochemical Descriptors

Cross References