EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Human Metabolites ; Human Neurotoxin ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	9753I242R5
EPA CompTox	DTXSID7020920

Keyword(s):

Food Contact Chemicals ; Human Metabolites ; Human Neurotoxin ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

9753I242R5

EPA CompTox

DTXSID7020920


InChI Key	RUFPHBVGCFYCNW-UHFFFAOYSA-N
Smiles	NC1=CC=CC2=CC=CC=C12
InChI	InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2

InChI Key

RUFPHBVGCFYCNW-UHFFFAOYSA-N

Smiles

NC1=CC=CC2=CC=CC=C12

InChI

InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2

Property Name	Value
Molecular Formula	C10H9N1
Molecular Weight	143.07
AlogP	2.42
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H9N1

Molecular Weight

143.07

AlogP

2.42

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	134-32-7
NORMAN SUSDAT
FDA SRS	9753I242R5
PubChem	8640
ChemSpider	8319.0

Resources

Reference

CAS NUMBER

134-32-7

NORMAN SUSDAT

FDA SRS

9753I242R5

PubChem

8640

ChemSpider

8319.0

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-NAPHTHYLAMINE

Structure

Physicochemical Descriptors

Cross References