EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0KG5HVB52Z
EPA CompTox	DTXSID4060658

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0KG5HVB52Z

EPA CompTox

DTXSID4060658


InChI Key	QFSYADJLNBHAKO-UHFFFAOYSA-N
Smiles	OC1=CC(=O)C(=CC1=O)O
InChI	InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H

InChI Key

QFSYADJLNBHAKO-UHFFFAOYSA-N

Smiles

OC1=CC(=O)C(=CC1=O)O

InChI

InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H

Property Name	Value
Molecular Formula	C6H4O4
Molecular Weight	140.01
AlogP	0.02
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Polar Surface Area	74.6
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H4O4

Molecular Weight

140.01

AlogP

0.02

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Polar Surface Area

74.6

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	615-94-1
NORMAN SUSDAT
FDA SRS	0KG5HVB52Z
PubChem	69213
ChemSpider	62426.0

Resources

Reference

CAS NUMBER

615-94-1

NORMAN SUSDAT

FDA SRS

0KG5HVB52Z

PubChem

69213

ChemSpider

62426.0

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, 2,5-DIHYDROXY-

Structure

Physicochemical Descriptors

Cross References