EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T5AMN9BP5V
EPA CompTox	DTXSID60183262

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T5AMN9BP5V

EPA CompTox

DTXSID60183262


InChI Key	NDKDFTQNXLHCGO-UHFFFAOYSA-N
Smiles	OC(=O)CNC(=O)OCC1c2c(cccc2)c2c1cccc2
InChI	InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)

InChI Key

NDKDFTQNXLHCGO-UHFFFAOYSA-N

Smiles

OC(=O)CNC(=O)OCC1c2c(cccc2)c2c1cccc2

InChI

InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)

Property Name	Value
Molecular Formula	C17H15N1O4
Molecular Weight	297.1
AlogP	2.81
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	79.12
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C17H15N1O4

Molecular Weight

297.1

AlogP

2.81

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

79.12

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	29022-11-5
NORMAN SUSDAT
FDA SRS	T5AMN9BP5V
PubChem	93124
ChemSpider	84070.0

Resources

Reference

CAS NUMBER

29022-11-5

NORMAN SUSDAT

FDA SRS

T5AMN9BP5V

PubChem

93124

ChemSpider

84070.0

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

N-(9H-(FLUOREN-9-YLMETHOXY)CARBONYL)GLYCINE

Structure

Physicochemical Descriptors

Cross References