EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YZ6LB5TLR9
EPA CompTox	DTXSID20466164

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YZ6LB5TLR9

EPA CompTox

DTXSID20466164


InChI Key	OWMGEFWSGOTGAU-UHFFFAOYSA-N
Smiles	[O-][N+](=O)c1ccc(cc1)N1CCOCC1=O
InChI	InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2

InChI Key

OWMGEFWSGOTGAU-UHFFFAOYSA-N

Smiles

[O-][N+](=O)c1ccc(cc1)N1CCOCC1=O

InChI

InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2

Property Name	Value
Molecular Formula	C10H10N2O4
Molecular Weight	222.06
AlogP	0.96
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	72.68
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H10N2O4

Molecular Weight

222.06

AlogP

0.96

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

72.68

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	446292-04-2
NORMAN SUSDAT
FDA SRS	YZ6LB5TLR9
PubChem	11447375
ChemSpider	9622228.0

Resources

Reference

CAS NUMBER

446292-04-2

NORMAN SUSDAT

FDA SRS

YZ6LB5TLR9

PubChem

11447375

ChemSpider

9622228.0

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

4-(4-NITROPHENYL)MORPHOLIN-3-ONE

Structure

Physicochemical Descriptors

Cross References