EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KZ55A7Y5ER
EPA CompTox	DTXSID60173744

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KZ55A7Y5ER

EPA CompTox

DTXSID60173744


InChI Key	IGYXYGDEYHNFFT-UHFFFAOYSA-N
Smiles	Oc1ccc(F)cc1Cl
InChI	InChI=1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

InChI Key

IGYXYGDEYHNFFT-UHFFFAOYSA-N

Smiles

Oc1ccc(F)cc1Cl

InChI

InChI=1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

Property Name	Value
Molecular Formula	C6H4Cl1F1O1
Molecular Weight	145.99
AlogP	2.18
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H4Cl1F1O1

Molecular Weight

145.99

AlogP

2.18

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	1996-41-4
NORMAN SUSDAT
FDA SRS	KZ55A7Y5ER
PubChem	74814
ChemSpider	67381.0

Resources

Reference

CAS NUMBER

1996-41-4

NORMAN SUSDAT

FDA SRS

KZ55A7Y5ER

PubChem

74814

ChemSpider

67381.0

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-FLUOROPHENOL

Structure

Physicochemical Descriptors

Cross References