EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C173P2D70Y
EPA CompTox	DTXSID20143120

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C173P2D70Y

EPA CompTox

DTXSID20143120


InChI Key	SOHMZGMHXUQHGE-UHFFFAOYSA-N
Smiles	Cc1c[nH]c(=O)cc1
InChI	InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)

InChI Key

SOHMZGMHXUQHGE-UHFFFAOYSA-N

Smiles

Cc1c[nH]c(=O)cc1

InChI

InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)

Property Name	Value
Molecular Formula	C6H7N1O1
Molecular Weight	109.05
AlogP	1.1
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	33.12
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C6H7N1O1

Molecular Weight

109.05

AlogP

1.1

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

33.12

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	1003-68-5
NORMAN SUSDAT
FDA SRS	C173P2D70Y
PubChem	70482
ChemSpider	63659.0

Resources

Reference

CAS NUMBER

1003-68-5

NORMAN SUSDAT

FDA SRS

C173P2D70Y

PubChem

70482

ChemSpider

63659.0

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

5-METHYL-2-PYRIDONE

Structure

Physicochemical Descriptors

Cross References