EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7M36TYL94R
EPA CompTox	DTXSID70167513

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7M36TYL94R

EPA CompTox

DTXSID70167513


InChI Key	FPZQYYXSOJSITC-UHFFFAOYSA-N
Smiles	Clc1ccc(cc1)N1C(=O)C=CC1=O
InChI	InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H

InChI Key

FPZQYYXSOJSITC-UHFFFAOYSA-N

Smiles

Clc1ccc(cc1)N1C(=O)C=CC1=O

InChI

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

Property Name	Value
Molecular Formula	C10H6Cl1N1O2
Molecular Weight	207.01
AlogP	1.77
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	37.38
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H6Cl1N1O2

Molecular Weight

207.01

AlogP

1.77

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

37.38

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1631-29-4
NORMAN SUSDAT
FDA SRS	7M36TYL94R
PubChem	15400
ChemSpider	14659.0

Resources

Reference

CAS NUMBER

1631-29-4

NORMAN SUSDAT

FDA SRS

7M36TYL94R

PubChem

15400

ChemSpider

14659.0

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

MALEIMIDE, N-(P-CHLOROPHENYL)-

Structure

Physicochemical Descriptors

Cross References