EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F24ADO1E2D
EPA CompTox	DTXSID70238035

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F24ADO1E2D

EPA CompTox

DTXSID70238035


InChI Key	OEHFRZLKGRKFAS-UHFFFAOYSA-N
Smiles	CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O
InChI	InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3

InChI Key

OEHFRZLKGRKFAS-UHFFFAOYSA-N

Smiles

CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O

InChI

InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3

Property Name	Value
Molecular Formula	C16H11N3O5S
Molecular Weight	357.04
AlogP	0.99
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	1.0
Polar Surface Area	102.48
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C16H11N3O5S

Molecular Weight

357.04

AlogP

0.99

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

1.0

Polar Surface Area

102.48

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	90101-16-9
NORMAN SUSDAT
FDA SRS	F24ADO1E2D
PubChem	65679

Resources

Reference

CAS NUMBER

90101-16-9

NORMAN SUSDAT

FDA SRS

F24ADO1E2D

PubChem

65679

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

DROXICAM

Structure

Physicochemical Descriptors

Cross References