EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	34QT24PE76
EPA CompTox	DTXSID20177526

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

34QT24PE76

EPA CompTox

DTXSID20177526


InChI Key	FPEGGKCNMYDNMW-UHFFFAOYSA-N
Smiles	ClC(=O)C(=O)c1c[nH]c2c1cccc2
InChI	InChI=1S/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H

InChI Key

FPEGGKCNMYDNMW-UHFFFAOYSA-N

Smiles

ClC(=O)C(=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H

Property Name	Value
Molecular Formula	C10H6Cl1N1O2
Molecular Weight	207.01
AlogP	2.12
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	49.93
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H6Cl1N1O2

Molecular Weight

207.01

AlogP

2.12

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

49.93

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	22980-09-2
NORMAN SUSDAT
FDA SRS	34QT24PE76
PubChem	89952
ChemSpider	81200.0

Resources

Reference

CAS NUMBER

22980-09-2

NORMAN SUSDAT

FDA SRS

34QT24PE76

PubChem

89952

ChemSpider

81200.0

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

3-INDOLEGLYOXYLYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References