EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SA97RT8ZGP
EPA CompTox	DTXSID10219303

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SA97RT8ZGP

EPA CompTox

DTXSID10219303


InChI Key	CQZDWYYGOZOTHY-UHFFFAOYSA-N
Smiles	O=C(O)C1=NC=2C=CC=CC2N=C1C(=O)O
InChI	InChI=1/C10H6N2O4/c13-9(14)7-8(10(15)16)12-6-4-2-1-3-5(6)11-7/h1-4H,(H,13,14)(H,15,16)

InChI Key

CQZDWYYGOZOTHY-UHFFFAOYSA-N

Smiles

O=C(O)C1=NC=2C=CC=CC2N=C1C(=O)O

InChI

InChI=1/C10H6N2O4/c13-9(14)7-8(10(15)16)12-6-4-2-1-3-5(6)11-7/h1-4H,(H,13,14)(H,15,16)

Property Name	Value
Molecular Formula	C10H6N2O4
Molecular Weight	218.03
AlogP	1.03
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	100.38
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H6N2O4

Molecular Weight

218.03

AlogP

1.03

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

100.38

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	6924-99-8
NORMAN SUSDAT
FDA SRS	SA97RT8ZGP
PubChem	81342

Resources

Reference

CAS NUMBER

6924-99-8

NORMAN SUSDAT

FDA SRS

SA97RT8ZGP

PubChem

81342

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

QUINOXALINE-2,3-DICARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References