EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CCR50N1Z9G
EPA CompTox	DTXSID8060903

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CCR50N1Z9G

EPA CompTox

DTXSID8060903


InChI Key	LBUJPTNKIBCYBY-UHFFFAOYSA-N
Smiles	C1CNc2c(C1)cccc2
InChI	InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2

InChI Key

LBUJPTNKIBCYBY-UHFFFAOYSA-N

Smiles

C1CNc2c(C1)cccc2

InChI

InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2

Property Name	Value
Molecular Formula	C9H11N1
Molecular Weight	133.09
AlogP	2.04
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.03
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C9H11N1

Molecular Weight

133.09

AlogP

2.04

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.03

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	635-46-1
NORMAN SUSDAT
FDA SRS	CCR50N1Z9G
PubChem	69460
ChemSpider	62667.0

Resources

Reference

CAS NUMBER

635-46-1

NORMAN SUSDAT

FDA SRS

CCR50N1Z9G

PubChem

69460

ChemSpider

62667.0

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

1,2,3,4-TETRAHYDROQUINOLINE

Structure

Physicochemical Descriptors

Cross References