EcoDrugPlus


Synonyms	Cloforex D 237 D-237
Status
Molecule Category	Free-form
UNII	2QJT5ZC1L6
EPA CompTox	DTXSID7048794

Synonyms

Cloforex

D 237

D-237

Status

Molecule Category

Free-form

UNII

2QJT5ZC1L6

EPA CompTox

DTXSID7048794


InChI Key	TZWKUQDQKPYNLL-UHFFFAOYSA-N
Smiles	CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1
InChI	InChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)

InChI Key

TZWKUQDQKPYNLL-UHFFFAOYSA-N

Smiles

CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1

InChI

InChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)

Property Name	Value
Molecular Formula	C13H18ClNO2
Molecular Weight	255.75
AlogP	3.41
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	38.33
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H18ClNO2

Molecular Weight

255.75

AlogP

3.41

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

38.33

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

17.0

Resources	Reference
ChEBI	135049
ChEMBL	CHEMBL1697686
DrugCentral	697
FDA SRS	2QJT5ZC1L6
PubChem	26602
SureChEMBL	SCHEMBL161808
ZINC	ZINC000000001189

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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

CLOFOREX

Structure

Physicochemical Descriptors

Cross References