EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2U5ATH9EJR
EPA CompTox	DTXSID00212808

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2U5ATH9EJR

EPA CompTox

DTXSID00212808


InChI Key	PFEIMKNQOIFKSW-UHFFFAOYSA-N
Smiles	Cc1c2ccccc2nc(Cl)c1
InChI	InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3

InChI Key

PFEIMKNQOIFKSW-UHFFFAOYSA-N

Smiles

Cc1c2ccccc2nc(Cl)c1

InChI

InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3

Property Name	Value
Molecular Formula	C10H8Cl1N1
Molecular Weight	177.03
AlogP	3.2
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H8Cl1N1

Molecular Weight

177.03

AlogP

3.2

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	634-47-9
NORMAN SUSDAT
FDA SRS	2U5ATH9EJR
PubChem	69449
ChemSpider	62656.0

Resources

Reference

CAS NUMBER

634-47-9

NORMAN SUSDAT

FDA SRS

2U5ATH9EJR

PubChem

69449

ChemSpider

62656.0

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-CHLORO-4-METHYLQUINOLINE

Structure

Physicochemical Descriptors

Cross References