EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1J012K1LJC
EPA CompTox	DTXSID5022512

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1J012K1LJC

EPA CompTox

DTXSID5022512


InChI Key	AQJFATAFTQCRGC-UHFFFAOYSA-N
Smiles	Cc1ccc(O)c(Cl)c1
InChI	InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

InChI Key

AQJFATAFTQCRGC-UHFFFAOYSA-N

Smiles

Cc1ccc(O)c(Cl)c1

InChI

InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

Property Name	Value
Molecular Formula	C7H7Cl1O1
Molecular Weight	142.02
AlogP	2.35
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H7Cl1O1

Molecular Weight

142.02

AlogP

2.35

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	6640-27-3
NORMAN SUSDAT
FDA SRS	1J012K1LJC
PubChem	14851
ChemSpider	14161.0

Resources

Reference

CAS NUMBER

6640-27-3

NORMAN SUSDAT

FDA SRS

1J012K1LJC

PubChem

14851

ChemSpider

14161.0

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

2-CHLORO-4-METHYLPHENOL

Structure

Physicochemical Descriptors

Cross References