EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DW181544YU
EPA CompTox	DTXSID70182564

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DW181544YU

EPA CompTox

DTXSID70182564


InChI Key	MEHLXACDLXEVBE-UHFFFAOYSA-N
Smiles	Oc1c2C(=O)c3c(c(Cl)ccc3Cl)C(=O)c2c(O)cc1
InChI	InChI=1S/C14H6Cl2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H

InChI Key

MEHLXACDLXEVBE-UHFFFAOYSA-N

Smiles

Oc1c2C(=O)c3c(c(Cl)ccc3Cl)C(=O)c2c(O)cc1

InChI

InChI=1S/C14H6Cl2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H

Property Name	Value
Molecular Formula	C14H6Cl2O4
Molecular Weight	307.96
AlogP	3.18
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Polar Surface Area	74.6
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H6Cl2O4

Molecular Weight

307.96

AlogP

3.18

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Polar Surface Area

74.6

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	2832-30-6
NORMAN SUSDAT
FDA SRS	DW181544YU
PubChem	76071
ChemSpider	68560.0

Resources

Reference

CAS NUMBER

2832-30-6

NORMAN SUSDAT

FDA SRS

DW181544YU

PubChem

76071

ChemSpider

68560.0

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

1,4-DICHLORO-5,8-DIHYDROXYANTHRAQUINONE

Structure

Physicochemical Descriptors

Cross References