EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	51KFT71THG
EPA CompTox	DTXSID70865466

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

51KFT71THG

EPA CompTox

DTXSID70865466


InChI Key	OJGJQQNLRVNIKE-UHFFFAOYSA-N
Smiles	CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1
InChI	InChI=1S/C11H10ClNO3/c1-6-4-10-13(16-6)11(14)8-5-7(12)2-3-9(8)15-10/h2-3,5-6,10H,4H2,1H3

InChI Key

OJGJQQNLRVNIKE-UHFFFAOYSA-N

Smiles

CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1

InChI

InChI=1S/C11H10ClNO3/c1-6-4-10-13(16-6)11(14)8-5-7(12)2-3-9(8)15-10/h2-3,5-6,10H,4H2,1H3

Property Name	Value
Molecular Formula	C11H10Cl1N1O3
Molecular Weight	239.03
AlogP	2.22
Hydrogen Bond Acceptor	3.0
Polar Surface Area	38.77
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H10Cl1N1O3

Molecular Weight

239.03

AlogP

2.22

Hydrogen Bond Acceptor

3.0

Polar Surface Area

38.77

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	29053-27-8
NORMAN SUSDAT
FDA SRS	51KFT71THG

Resources

Reference

CAS NUMBER

29053-27-8

NORMAN SUSDAT

FDA SRS

51KFT71THG

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

MESECLAZONE

Structure

Physicochemical Descriptors

Cross References