EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6EYW73T7SG
EPA CompTox	DTXSID70167735

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6EYW73T7SG

EPA CompTox

DTXSID70167735


InChI Key	DDQOEXWUZHRSOZ-UHFFFAOYSA-N
Smiles	COc1cc2c(cc1)n(C(=O)c1cnccc1)c(C)c2CC(=O)O
InChI	InChI=1S/C18H16N2O4/c1-11-14(9-17(21)22)15-8-13(24-2)5-6-16(15)20(11)18(23)12-4-3-7-19-10-12/h3-8,10H,9H2,1-2H3,(H,21,22)

InChI Key

DDQOEXWUZHRSOZ-UHFFFAOYSA-N

Smiles

COc1cc2c(cc1)n(C(=O)c1cnccc1)c(C)c2CC(=O)O

InChI

InChI=1S/C18H16N2O4/c1-11-14(9-17(21)22)15-8-13(24-2)5-6-16(15)20(11)18(23)12-4-3-7-19-10-12/h3-8,10H,9H2,1-2H3,(H,21,22)

Property Name	Value
Molecular Formula	C18H16N2O4
Molecular Weight	324.11
AlogP	2.67
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	81.42
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H16N2O4

Molecular Weight

324.11

AlogP

2.67

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

81.42

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	16426-83-8
NORMAN SUSDAT
FDA SRS	6EYW73T7SG
PubChem	65627
ChemSpider	59068.0

Resources

Reference

CAS NUMBER

16426-83-8

NORMAN SUSDAT

FDA SRS

6EYW73T7SG

PubChem

65627

ChemSpider

59068.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

NIOMETACIN

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