EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MHK948F670
EPA CompTox	DTXSID2037552

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MHK948F670

EPA CompTox

DTXSID2037552


InChI Key	FFKNXXCOXIZLJD-UHFFFAOYSA-N
Smiles	Fc1ccc(cc1)N(C(C)C)C(=O)C(O)=O
InChI	InChI=1S/C11H12FNO3/c1-7(2)13(10(14)11(15)16)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,15,16)

InChI Key

FFKNXXCOXIZLJD-UHFFFAOYSA-N

Smiles

Fc1ccc(cc1)N(C(C)C)C(=O)C(O)=O

InChI

InChI=1S/C11H12FNO3/c1-7(2)13(10(14)11(15)16)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,15,16)

Property Name	Value
Molecular Formula	C11H12F1N1O3
Molecular Weight	225.08
AlogP	1.65
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	57.61
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H12F1N1O3

Molecular Weight

225.08

AlogP

1.65

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

57.61

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	201668-31-7
NORMAN SUSDAT
FDA SRS	MHK948F670
PubChem	16212222
ChemSpider	17340100.0

Resources

Reference

CAS NUMBER

201668-31-7

NORMAN SUSDAT

FDA SRS

MHK948F670

PubChem

16212222

ChemSpider

17340100.0

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

FLUFENACET OA

Structure

Physicochemical Descriptors

Cross References