EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WWD33Z178Q
EPA CompTox	DTXSID00884165

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WWD33Z178Q

EPA CompTox

DTXSID00884165


InChI Key	DUILGEYLVHGSEE-UHFFFAOYSA-N
Smiles	O=C1C=2C=CC=CC2C(=O)N1CC3OC3
InChI	InChI=1/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2

InChI Key

DUILGEYLVHGSEE-UHFFFAOYSA-N

Smiles

O=C1C=2C=CC=CC2C(=O)N1CC3OC3

InChI

InChI=1/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2

Property Name	Value
Molecular Formula	C11H9NO3
Molecular Weight	203.06
AlogP	0.68
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	49.91
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H9NO3

Molecular Weight

203.06

AlogP

0.68

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

49.91

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5455-98-1
NORMAN SUSDAT
FDA SRS	WWD33Z178Q
PubChem	21601

Resources

Reference

CAS NUMBER

5455-98-1

NORMAN SUSDAT

FDA SRS

WWD33Z178Q

PubChem

21601

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-(2,3-EPOXYPROPYL)PHTHALIMIDE

Structure

Physicochemical Descriptors

Cross References