EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WGA8E072GX
EPA CompTox	DTXSID80146995

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WGA8E072GX

EPA CompTox

DTXSID80146995


InChI Key	XSOUHEXVEOQRKJ-IUCAKERBSA-N
Smiles	Fc1cccc2O[C@H]3CNC[C@@H]3Oc12
InChI	InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2/t8-,9-/m0/s1

InChI Key

XSOUHEXVEOQRKJ-IUCAKERBSA-N

Smiles

Fc1cccc2O[C@H]3CNC[C@@H]3Oc12

InChI

InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2/t8-,9-/m0/s1

Property Name	Value
Molecular Formula	C10H10F1N1O2
Molecular Weight	195.07
AlogP	0.94
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	30.49
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H10F1N1O2

Molecular Weight

195.07

AlogP

0.94

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

30.49

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	105182-45-4
NORMAN SUSDAT
FDA SRS	WGA8E072GX

Resources

Reference

CAS NUMBER

105182-45-4

NORMAN SUSDAT

FDA SRS

WGA8E072GX

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

FLUPAROXAN

Structure

Physicochemical Descriptors

Cross References