EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q7FNA7HXLF
EPA CompTox	DTXSID801043378

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q7FNA7HXLF

EPA CompTox

DTXSID801043378


InChI Key	HRVDUVFNYUFLPD-UHFFFAOYSA-N
Smiles	CC(=N/O)c1ccc(OCC(=O)N2CCOCC2)cc1
InChI	InChI=1S/C14H18N2O4/c1-11(15-18)12-2-4-13(5-3-12)20-10-14(17)16-6-8-19-9-7-16/h2-5,11H,6-10H2,1H3

InChI Key

HRVDUVFNYUFLPD-UHFFFAOYSA-N

Smiles

CC(=N/O)c1ccc(OCC(=O)N2CCOCC2)cc1

InChI

InChI=1S/C14H18N2O4/c1-11(15-18)12-2-4-13(5-3-12)20-10-14(17)16-6-8-19-9-7-16/h2-5,11H,6-10H2,1H3

Property Name	Value
Molecular Formula	C14H18N2O4
Molecular Weight	278.13
AlogP	1.75
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	68.2
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H18N2O4

Molecular Weight

278.13

AlogP

1.75

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

5.0

Polar Surface Area

68.2

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	29936-79-6
NORMAN SUSDAT
FDA SRS	Q7FNA7HXLF

Resources

Reference

CAS NUMBER

29936-79-6

NORMAN SUSDAT

FDA SRS

Q7FNA7HXLF

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

MOFOXIME

Structure

Physicochemical Descriptors

Cross References