EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L786AAG56H
EPA CompTox	DTXSID40146911

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L786AAG56H

EPA CompTox

DTXSID40146911


InChI Key	YQDGQEKUTLYWJU-UHFFFAOYSA-N
Smiles	C1CCc2c(C1)cccn2
InChI	InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2

InChI Key

YQDGQEKUTLYWJU-UHFFFAOYSA-N

Smiles

C1CCc2c(C1)cccn2

InChI

InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2

Property Name	Value
Molecular Formula	C9H11N1
Molecular Weight	133.09
AlogP	1.96
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C9H11N1

Molecular Weight

133.09

AlogP

1.96

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	10500-57-9
NORMAN SUSDAT
FDA SRS	L786AAG56H
PubChem	66335
ChemSpider	35518859.0

Resources

Reference

CAS NUMBER

10500-57-9

NORMAN SUSDAT

FDA SRS

L786AAG56H

PubChem

66335

ChemSpider

35518859.0

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

5,6,7,8-TETRAHYDROQUINOLINE

Structure

Physicochemical Descriptors

Cross References