EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DFE4V4JT6R
EPA CompTox	DTXSID70212416

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DFE4V4JT6R

EPA CompTox

DTXSID70212416


InChI Key	HOHZZPCLZWZMOM-UHFFFAOYSA-N
Smiles	Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChI	InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)

InChI Key

HOHZZPCLZWZMOM-UHFFFAOYSA-N

Smiles

Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1

InChI

InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)

Property Name	Value
Molecular Formula	C9H8N2O2
Molecular Weight	176.06
AlogP	0.52
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	65.72
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H8N2O2

Molecular Weight

176.06

AlogP

0.52

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

65.72

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	6309-61-1
NORMAN SUSDAT
FDA SRS	DFE4V4JT6R
PubChem	73225
ChemSpider	65980.0

Resources

Reference

CAS NUMBER

6309-61-1

NORMAN SUSDAT

FDA SRS

DFE4V4JT6R

PubChem

73225

ChemSpider

65980.0

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-DIHYDRO-6-METHYLQUINOXALINE-2,3-DIONE

Structure

Physicochemical Descriptors

Cross References