EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SR8WC7LLQ2
EPA CompTox	DTXSID4027494

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SR8WC7LLQ2

EPA CompTox

DTXSID4027494


InChI Key	AXNUJYHFQHQZBE-UHFFFAOYSA-N
Smiles	Cc1cccc(N)c1N
InChI	InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3

InChI Key

AXNUJYHFQHQZBE-UHFFFAOYSA-N

Smiles

Cc1cccc(N)c1N

InChI

InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3

Property Name	Value
Molecular Formula	C7H10N2
Molecular Weight	122.08
AlogP	1.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.04
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H10N2

Molecular Weight

122.08

AlogP

1.16

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.04

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	2687-25-4
NORMAN SUSDAT
FDA SRS	SR8WC7LLQ2
PubChem	17593
ChemSpider	16633.0

Resources

Reference

CAS NUMBER

2687-25-4

NORMAN SUSDAT

FDA SRS

SR8WC7LLQ2

PubChem

17593

ChemSpider

16633.0

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

2,3-DIAMINOTOLUENE

Structure

Physicochemical Descriptors

Cross References