EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID0068286

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID0068286


InChI Key	FOFUWJNBAQJABO-UHFFFAOYSA-N
Smiles	Oc1ccc2CCCN3CCCc1c23
InChI	InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2

InChI Key

FOFUWJNBAQJABO-UHFFFAOYSA-N

Smiles

Oc1ccc2CCCN3CCCc1c23

InChI

InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2

Property Name	Value
Molecular Formula	C12H15N1O1
Molecular Weight	189.12
AlogP	2.09
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	23.47
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H15N1O1

Molecular Weight

189.12

AlogP

2.09

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

23.47

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	41175-50-2
NORMAN SUSDAT
PubChem	170474
ChemSpider	149045.0

Resources

Reference

CAS NUMBER

41175-50-2

NORMAN SUSDAT

PubChem

170474

ChemSpider

149045.0

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

1H,5H-BENZO[IJ]QUINOLIZIN-8-OL, 2,3,6,7-TETRAHYDRO-

Structure

Physicochemical Descriptors

Cross References