EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives ; Indoor Environment Substances
Molecule Category	Free-form
UNII	36W53O7109
EPA CompTox	DTXSID4021717

Keyword(s):

Food Contact Chemicals ; Plastic additives ; Indoor Environment Substances

Molecule Category

Free-form

UNII

36W53O7109

EPA CompTox

DTXSID4021717


InChI Key	CFKMVGJGLGKFKI-UHFFFAOYSA-N
Smiles	Cc1cc(O)ccc1Cl
InChI	InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

InChI Key

CFKMVGJGLGKFKI-UHFFFAOYSA-N

Smiles

Cc1cc(O)ccc1Cl

InChI

InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/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	59-50-7
NORMAN SUSDAT
FDA SRS	36W53O7109
PubChem	1732
ChemSpider	21106018.0

Resources

Reference

CAS NUMBER

59-50-7

NORMAN SUSDAT

FDA SRS

36W53O7109

PubChem

1732

ChemSpider

21106018.0

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-3-METHYLPHENOL

Structure

Physicochemical Descriptors

Cross References