EcoDrugPlus


Synonyms	Acetic acid, trichloro- NSC-215204 TCAA Trichloroacetate Trichloroacetic acid Trichloroethanoic acid
Status
Molecule Category	Free-form
UNII	5V2JDO056X
EPA CompTox	DTXSID1021378

Synonyms

Acetic acid, trichloro-

NSC-215204

TCAA

Trichloroacetate

Trichloroacetic acid

Trichloroethanoic acid

Status

Molecule Category

Free-form

UNII

5V2JDO056X

EPA CompTox

DTXSID1021378


InChI Key	YNJBWRMUSHSURL-UHFFFAOYSA-N
Smiles	O=C(O)C(Cl)(Cl)Cl
InChI	InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChI Key

YNJBWRMUSHSURL-UHFFFAOYSA-N

Smiles

O=C(O)C(Cl)(Cl)Cl

InChI

InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)

Property Name	Value
Molecular Formula	C2HCl3O2
Molecular Weight	163.39
AlogP	1.44
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	37.3
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2HCl3O2

Molecular Weight

163.39

AlogP

1.44

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

37.3

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
ChEBI	30956
ChEMBL	CHEMBL14053
DrugCentral	3627
FDA SRS	5V2JDO056X
Human Metabolome Database	HMDB0042048
KEGG	C11150
PubChem	6421
SureChEMBL	SCHEMBL3220
ZINC	ZINC000003791092

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

Human Metabolome Database

KEGG

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

TRICHLOROACETIC ACID

Structure

Physicochemical Descriptors

Cross References