EcoDrugPlus


Synonyms	3,3',4',5-tetrachlorosalicylanilide
Status
Molecule Category	Free-form
UNII	HNE676755I
EPA CompTox	DTXSID4040767


InChI Key	SJQBHPJLLIJASD-UHFFFAOYSA-N
Smiles	O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
InChI	InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)

Property Name	Value
Molecular Formula	C13H7Cl4NO2
Molecular Weight	351.02
AlogP	5.26
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	49.33
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	20.0

Resources	Reference
ChEBI	188648
ChEMBL	CHEMBL291338
FDA SRS	HNE676755I
PubChem	14385
SureChEMBL	SCHEMBL168748
ZINC	ZINC000001081469

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...

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Last update: Monday, 3 November 2025

3,3',4',5-TETRACHLOROSALICYLANILIDE

Structure

Physicochemical Descriptors

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