EcoDrugPlus


Synonyms	Triflusal
Status
Molecule Category	Free-form
ATC	B01AC18
UNII	1Z0YFI05OO
EPA CompTox	DTXSID8045305

Synonyms

Triflusal

Status

Molecule Category

Free-form

ATC

B01AC18

UNII

1Z0YFI05OO

EPA CompTox

DTXSID8045305


InChI Key	RMWVZGDJPAKBDE-UHFFFAOYSA-N
Smiles	CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O
InChI	InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)

InChI Key

RMWVZGDJPAKBDE-UHFFFAOYSA-N

Smiles

CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O

InChI

InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)

Property Name	Value
Molecular Formula	C10H7F3O4
Molecular Weight	248.16
AlogP	2.33
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	63.6
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H7F3O4

Molecular Weight

248.16

AlogP

2.33

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

63.6

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

17.0

Resources	Reference
ChEBI	94721
ChEMBL	CHEMBL1332032
DrugBank	DB08814
DrugCentral	2744
FDA SRS	1Z0YFI05OO
PubChem	9458
SureChEMBL	SCHEMBL136423
ZINC	ZINC000000002220

Resources

Reference

ChEBI

ChEMBL

DrugBank

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

TRIFLUSAL

Structure

Physicochemical Descriptors

Cross References