EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	18Z19A103W
EPA CompTox	DTXSID70201446

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

18Z19A103W

EPA CompTox

DTXSID70201446


InChI Key	KRNSYSYRLQDHDK-UHFFFAOYSA-N
Smiles	C1Cc2c(C1)nccc2
InChI	InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2

InChI Key

KRNSYSYRLQDHDK-UHFFFAOYSA-N

Smiles

C1Cc2c(C1)nccc2

InChI

InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2

Property Name	Value
Molecular Formula	C8H9N1
Molecular Weight	119.07
AlogP	1.57
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C8H9N1

Molecular Weight

119.07

AlogP

1.57

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	533-37-9
NORMAN SUSDAT
FDA SRS	18Z19A103W
PubChem	68292
ChemSpider	61589.0

Resources

Reference

CAS NUMBER

533-37-9

NORMAN SUSDAT

FDA SRS

18Z19A103W

PubChem

68292

ChemSpider

61589.0

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

6,7-DIHYDRO-5H-CYCLOPENTA(B)PYRIDINE

Structure

Physicochemical Descriptors

Cross References