EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JY6T788D7N
EPA CompTox	DTXSID4061462

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JY6T788D7N

EPA CompTox

DTXSID4061462


InChI Key	LIDGFHXPUOJZMK-UHFFFAOYSA-N
Smiles	Cc1cccc(C)[n+]1[O-]
InChI	InChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

InChI Key

LIDGFHXPUOJZMK-UHFFFAOYSA-N

Smiles

Cc1cccc(C)[n+]1[O-]

InChI

InChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

Property Name	Value
Molecular Formula	C7H9N1O1
Molecular Weight	123.07
AlogP	0.94
Hydrogen Bond Acceptor	1.0
Polar Surface Area	26.94
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H9N1O1

Molecular Weight

123.07

AlogP

0.94

Hydrogen Bond Acceptor

1.0

Polar Surface Area

26.94

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	1073-23-0
NORMAN SUSDAT
FDA SRS	JY6T788D7N
PubChem	14083
ChemSpider	13463.0

Resources

Reference

CAS NUMBER

1073-23-0

NORMAN SUSDAT

FDA SRS

JY6T788D7N

PubChem

14083

ChemSpider

13463.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PYRIDINE, 2,6-DIMETHYL-, 1-OXIDE

Structure

Physicochemical Descriptors

Cross References