EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q8ATP62S3T
EPA CompTox	DTXSID5068287

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q8ATP62S3T

EPA CompTox

DTXSID5068287


InChI Key	QJZNIHHRDQKAFU-UHFFFAOYSA-N
Smiles	ClCCN1C(=O)CCC1=O
InChI	InChI=1S/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2

InChI Key

QJZNIHHRDQKAFU-UHFFFAOYSA-N

Smiles

ClCCN1C(=O)CCC1=O

InChI

InChI=1S/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2

Property Name	Value
Molecular Formula	C6H8Cl1N1O2
Molecular Weight	161.02
AlogP	0.37
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	37.38
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H8Cl1N1O2

Molecular Weight

161.02

AlogP

0.37

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

37.38

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	41212-96-8
NORMAN SUSDAT
FDA SRS	Q8ATP62S3T
PubChem	96183
ChemSpider	86825.0

Resources

Reference

CAS NUMBER

41212-96-8

NORMAN SUSDAT

FDA SRS

Q8ATP62S3T

PubChem

96183

ChemSpider

86825.0

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...

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Last update: Monday, 3 November 2025

2,5-PYRROLIDINEDIONE, 1-(2-CHLOROETHYL)-

Structure

Physicochemical Descriptors

Cross References