EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DJ83GRX3YC
EPA CompTox	DTXSID701229179

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DJ83GRX3YC

EPA CompTox

DTXSID701229179


InChI Key	WLDMPODMCFGWAA-UHFFFAOYSA-N
Smiles	O=C1NC(=O)C2CCCCC12
InChI	InChI=1/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)

InChI Key

WLDMPODMCFGWAA-UHFFFAOYSA-N

Smiles

O=C1NC(=O)C2CCCCC12

InChI

InChI=1/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)

Property Name	Value
Molecular Formula	C8H11NO2
Molecular Weight	153.08
AlogP	1.29
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	49.66
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H11NO2

Molecular Weight

153.08

AlogP

1.29

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

49.66

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	7506-66-3
NORMAN SUSDAT
FDA SRS	DJ83GRX3YC
PubChem	73559

Resources

Reference

CAS NUMBER

7506-66-3

NORMAN SUSDAT

FDA SRS

DJ83GRX3YC

PubChem

73559

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

HEXAHYDROPHTHALIMIDE

Structure

Physicochemical Descriptors

Cross References