EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FOF3PSJ59Z
EPA CompTox	DTXSID00143623

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FOF3PSJ59Z

EPA CompTox

DTXSID00143623


InChI Key	CCTJHVLTAJTPBV-UHFFFAOYSA-N
Smiles	ClC1=CC(=O)c2c(cccc2)C1=O
InChI	InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H

InChI Key

CCTJHVLTAJTPBV-UHFFFAOYSA-N

Smiles

ClC1=CC(=O)c2c(cccc2)C1=O

InChI

InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H

Property Name	Value
Molecular Formula	C10H5Cl1O2
Molecular Weight	192.0
AlogP	2.19
Hydrogen Bond Acceptor	2.0
Polar Surface Area	34.14
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H5Cl1O2

Molecular Weight

192.0

AlogP

2.19

Hydrogen Bond Acceptor

2.0

Polar Surface Area

34.14

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	1010-60-2
NORMAN SUSDAT
FDA SRS	FOF3PSJ59Z
PubChem	13891
ChemSpider	13290.0

Resources

Reference

CAS NUMBER

1010-60-2

NORMAN SUSDAT

FDA SRS

FOF3PSJ59Z

PubChem

13891

ChemSpider

13290.0

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

2-CHLORO-1,4-NAPHTHOQUINONE

Structure

Physicochemical Descriptors

Cross References