EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QJZ53XH2GC
EPA CompTox	DTXSID80176994

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QJZ53XH2GC

EPA CompTox

DTXSID80176994


InChI Key	FAOJNWOJCPKVTM-UHFFFAOYSA-N
Smiles	COc1ccc2ccccc2c1N
InChI	InChI=1S/C11H11NO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,12H2,1H3

InChI Key

FAOJNWOJCPKVTM-UHFFFAOYSA-N

Smiles

COc1ccc2ccccc2c1N

InChI

InChI=1S/C11H11NO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,12H2,1H3

Property Name	Value
Molecular Formula	C11H11N1O1
Molecular Weight	173.08
AlogP	2.43
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	35.25
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H11N1O1

Molecular Weight

173.08

AlogP

2.43

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

35.25

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	2246-42-6
NORMAN SUSDAT
FDA SRS	QJZ53XH2GC
PubChem	75252
ChemSpider	67796.0

Resources

Reference

CAS NUMBER

2246-42-6

NORMAN SUSDAT

FDA SRS

QJZ53XH2GC

PubChem

75252

ChemSpider

67796.0

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

2-METHOXYNAPHTHALEN-1-AMINE

Structure

Physicochemical Descriptors

Cross References