EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XYD4JR9W4V
EPA CompTox	DTXSID60210204

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XYD4JR9W4V

EPA CompTox

DTXSID60210204


InChI Key	HBJPJUGOYJOSLR-UHFFFAOYSA-N
Smiles	NC=1C=CC2=CC=C(N)C=C2C1
InChI	InChI=1/C10H10N2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,11-12H2

InChI Key

HBJPJUGOYJOSLR-UHFFFAOYSA-N

Smiles

NC=1C=CC2=CC=C(N)C=C2C1

InChI

InChI=1/C10H10N2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,11-12H2

Property Name	Value
Molecular Formula	C10H10N2
Molecular Weight	158.08
AlogP	2.0
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.04
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H10N2

Molecular Weight

158.08

AlogP

2.0

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.04

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	613-76-3
NORMAN SUSDAT
FDA SRS	XYD4JR9W4V
PubChem	11951

Resources

Reference

CAS NUMBER

613-76-3

NORMAN SUSDAT

FDA SRS

XYD4JR9W4V

PubChem

11951

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

NAPHTHALENE-2,7-DIAMINE

Structure

Physicochemical Descriptors

Cross References