EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	IAF7F741SX
EPA CompTox	DTXSID90227123

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

IAF7F741SX

EPA CompTox

DTXSID90227123


InChI Key	YULWJRNIKFFGNU-UHFFFAOYSA-N
Smiles	CNC(=O)N1CC(C1)Oc2cccc(c2)C(F)(F)F
InChI	InChI=1S/C12H13F3N2O2/c1-16-11(18)17-6-10(7-17)19-9-4-2-3-8(5-9)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,18)

InChI Key

YULWJRNIKFFGNU-UHFFFAOYSA-N

Smiles

CNC(=O)N1CC(C1)Oc2cccc(c2)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O2/c1-16-11(18)17-6-10(7-17)19-9-4-2-3-8(5-9)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,18)

Property Name	Value
Molecular Formula	C12H13F3N2O2
Molecular Weight	274.09
AlogP	2.31
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	45.06
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C12H13F3N2O2

Molecular Weight

274.09

AlogP

2.31

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

45.06

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	76263-13-3
NORMAN SUSDAT
FDA SRS	IAF7F741SX

Resources

Reference

CAS NUMBER

76263-13-3

NORMAN SUSDAT

FDA SRS

IAF7F741SX

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

FLUZINAMIDE

Structure

Physicochemical Descriptors

Cross References