EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HY699T7K5S
EPA CompTox	DTXSID1066603

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HY699T7K5S

EPA CompTox

DTXSID1066603


InChI Key	KANJSWOVFIVFDI-UHFFFAOYSA-N
Smiles	IC1=CC(=O)C=C(I)C1=O
InChI	InChI=1S/C6H2I2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

InChI Key

KANJSWOVFIVFDI-UHFFFAOYSA-N

Smiles

IC1=CC(=O)C=C(I)C1=O

InChI

InChI=1S/C6H2I2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

Property Name	Value
Molecular Formula	C6H2I2O2
Molecular Weight	359.81
AlogP	1.78
Hydrogen Bond Acceptor	2.0
Polar Surface Area	34.14
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H2I2O2

Molecular Weight

359.81

AlogP

1.78

Hydrogen Bond Acceptor

2.0

Polar Surface Area

34.14

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	20389-01-9
NORMAN SUSDAT
FDA SRS	HY699T7K5S
PubChem	88517
ChemSpider	79868.0

Resources

Reference

CAS NUMBER

20389-01-9

NORMAN SUSDAT

FDA SRS

HY699T7K5S

PubChem

88517

ChemSpider

79868.0

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

2,5-CYCLOHEXADIENE-1,4-DIONE, 2,6-DIIODO-

Structure

Physicochemical Descriptors

Cross References