EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9E55385Q47
EPA CompTox	DTXSID20170315

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9E55385Q47

EPA CompTox

DTXSID20170315


InChI Key	QZDWODWEESGPLC-UHFFFAOYSA-N
Smiles	CC(=O)Oc1cnccc1
InChI	InChI=1S/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H3

InChI Key

QZDWODWEESGPLC-UHFFFAOYSA-N

Smiles

CC(=O)Oc1cnccc1

InChI

InChI=1S/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H3

Property Name	Value
Molecular Formula	C7H7N1O2
Molecular Weight	137.05
AlogP	1.01
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	39.19
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H7N1O2

Molecular Weight

137.05

AlogP

1.01

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

39.19

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	17747-43-2
NORMAN SUSDAT
FDA SRS	9E55385Q47
PubChem	87289
ChemSpider	78742.0

Resources

Reference

CAS NUMBER

17747-43-2

NORMAN SUSDAT

FDA SRS

9E55385Q47

PubChem

87289

ChemSpider

78742.0

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

3-PYRIDYL ACETATE

Structure

Physicochemical Descriptors

Cross References