EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	09XU4VDV7E
EPA CompTox	DTXSID7048875

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

09XU4VDV7E

EPA CompTox

DTXSID7048875


InChI Key	SFITWQDBYUMAPS-UHFFFAOYSA-N
Smiles	Cc1nc2c(cccc2)c(=O)n1c1c(Cl)cccc1
InChI	InChI=1S/C15H11ClN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3

InChI Key

SFITWQDBYUMAPS-UHFFFAOYSA-N

Smiles

Cc1nc2c(cccc2)c(=O)n1c1c(Cl)cccc1

InChI

InChI=1S/C15H11ClN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3

Property Name	Value
Molecular Formula	C15H11Cl1N2O1
Molecular Weight	270.06
AlogP	3.35
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	34.89
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H11Cl1N2O1

Molecular Weight

270.06

AlogP

3.35

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

34.89

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	340-57-8
NORMAN SUSDAT
FDA SRS	09XU4VDV7E
PubChem	9567
ChemSpider	9192.0

Resources

Reference

CAS NUMBER

340-57-8

NORMAN SUSDAT

FDA SRS

09XU4VDV7E

PubChem

9567

ChemSpider

9192.0

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

MECLOQUALONE

Structure

Physicochemical Descriptors

Cross References