EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GE4VW55XKG
EPA CompTox	DTXSID10202417

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GE4VW55XKG

EPA CompTox

DTXSID10202417


InChI Key	XRWGZDGUXYNIOS-UHFFFAOYSA-N
Smiles	OC(=O)c1cc(Cl)c2ccccc2c1O
InChI	InChI=1S/C11H7ClO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)

InChI Key

XRWGZDGUXYNIOS-UHFFFAOYSA-N

Smiles

OC(=O)c1cc(Cl)c2ccccc2c1O

InChI

InChI=1S/C11H7ClO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)

Property Name	Value
Molecular Formula	C11H7Cl1O3
Molecular Weight	222.01
AlogP	2.9
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	57.53
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H7Cl1O3

Molecular Weight

222.01

AlogP

2.9

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

57.53

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5409-15-4
NORMAN SUSDAT
FDA SRS	GE4VW55XKG
PubChem	79416
ChemSpider	71735.0

Resources

Reference

CAS NUMBER

5409-15-4

NORMAN SUSDAT

FDA SRS

GE4VW55XKG

PubChem

79416

ChemSpider

71735.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-CHLORO-1-HYDROXY-2-NAPHTHOIC ACID

Structure

Physicochemical Descriptors

Cross References