EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ES86DYT9KH
EPA CompTox	DTXSID00870583

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ES86DYT9KH

EPA CompTox

DTXSID00870583


InChI Key	WASQBNCGNUTVNI-UHFFFAOYSA-N
Smiles	ClC=1C=C(Cl)C(O)=C(N)C1
InChI	InChI=1/C6H5Cl2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2

InChI Key

WASQBNCGNUTVNI-UHFFFAOYSA-N

Smiles

ClC=1C=C(Cl)C(O)=C(N)C1

InChI

InChI=1/C6H5Cl2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2

Property Name	Value
Molecular Formula	C6H5Cl2NO
Molecular Weight	176.97
AlogP	2.28
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	46.25
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H5Cl2NO

Molecular Weight

176.97

AlogP

2.28

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

46.25

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	527-62-8
NORMAN SUSDAT
FDA SRS	ES86DYT9KH
PubChem	10699

Resources

Reference

CAS NUMBER

527-62-8

NORMAN SUSDAT

FDA SRS

ES86DYT9KH

PubChem

10699

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-AMINO-4,6-DICHLOROPHENOL

Structure

Physicochemical Descriptors

Cross References