EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6VK2H53LQN
EPA CompTox	DTXSID6067385

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6VK2H53LQN

EPA CompTox

DTXSID6067385


InChI Key	FZCQMIRJCGWWCL-UHFFFAOYSA-N
Smiles	Nc1ccc(Cl)cc1O
InChI	InChI=1S/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2

InChI Key

FZCQMIRJCGWWCL-UHFFFAOYSA-N

Smiles

Nc1ccc(Cl)cc1O

InChI

InChI=1S/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2

Property Name	Value
Molecular Formula	C6H6Cl1N1O1
Molecular Weight	143.01
AlogP	1.63
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	46.25
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H6Cl1N1O1

Molecular Weight

143.01

AlogP

1.63

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

46.25

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	28443-50-7
NORMAN SUSDAT
FDA SRS	6VK2H53LQN
PubChem	91591
ChemSpider	82702.0

Resources

Reference

CAS NUMBER

28443-50-7

NORMAN SUSDAT

FDA SRS

6VK2H53LQN

PubChem

91591

ChemSpider

82702.0

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

PHENOL, 2-AMINO-5-CHLORO-

Structure

Physicochemical Descriptors

Cross References