EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S7936QON2K
EPA CompTox	DTXSID7042568

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S7936QON2K

EPA CompTox

DTXSID7042568


InChI Key	UAWVRVFHMOSAPU-UHFFFAOYSA-N
Smiles	OC(=O)c1cc(=O)c2c([nH]1)cc(Cl)cc2
InChI	InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)

InChI Key

UAWVRVFHMOSAPU-UHFFFAOYSA-N

Smiles

OC(=O)c1cc(=O)c2c([nH]1)cc(Cl)cc2

InChI

InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)

Property Name	Value
Molecular Formula	C10H6Cl1N1O3
Molecular Weight	223.0
AlogP	1.88
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	70.16
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H6Cl1N1O3

Molecular Weight

223.0

AlogP

1.88

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

70.16

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	18000-24-3
NORMAN SUSDAT
FDA SRS	S7936QON2K
PubChem	1884
ChemSpider	1813.0

Resources

Reference

CAS NUMBER

18000-24-3

NORMAN SUSDAT

FDA SRS

S7936QON2K

PubChem

1884

ChemSpider

1813.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

7-CHLOROKYNURENIC ACID

Structure

Physicochemical Descriptors

Cross References