EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	95NB978426
EPA CompTox	DTXSID1041508

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

95NB978426

EPA CompTox

DTXSID1041508


InChI Key	CXNVOWPRHWWCQR-UHFFFAOYSA-N
Smiles	Cc1cc(Cl)ccc1N
InChI	InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3

InChI Key

CXNVOWPRHWWCQR-UHFFFAOYSA-N

Smiles

Cc1cc(Cl)ccc1N

InChI

InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(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	95-69-2
NORMAN SUSDAT
FDA SRS	95NB978426
PubChem	7251
ChemSpider	6981.0

Resources

Reference

CAS NUMBER

95-69-2

NORMAN SUSDAT

FDA SRS

95NB978426

PubChem

7251

ChemSpider

6981.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-CHLORO-2-METHYLANILINE

Structure

Physicochemical Descriptors

Cross References