EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	76F11RQ7TB
EPA CompTox	DTXSID8058956

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

76F11RQ7TB

EPA CompTox

DTXSID8058956


InChI Key	WFNLHDJJZSJARK-UHFFFAOYSA-N
Smiles	Cc1cccc(Cl)c1N
InChI	InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3

InChI Key

WFNLHDJJZSJARK-UHFFFAOYSA-N

Smiles

Cc1cccc(Cl)c1N

InChI

InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3

Property Name	Value
Molecular Formula	C7H8Cl1N1
Molecular Weight	141.03
AlogP	2.23
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H8Cl1N1

Molecular Weight

141.03

AlogP

2.23

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	87-63-8
NORMAN SUSDAT
FDA SRS	76F11RQ7TB
PubChem	6897
ChemSpider	6631.0

Resources

Reference

CAS NUMBER

87-63-8

NORMAN SUSDAT

FDA SRS

76F11RQ7TB

PubChem

6897

ChemSpider

6631.0

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

6-CHLORO-2-METHYLANILINE

Structure

Physicochemical Descriptors

Cross References