EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QZF4XYZ9ZA
EPA CompTox	DTXSID50233361

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QZF4XYZ9ZA

EPA CompTox

DTXSID50233361


InChI Key	PQKIJCOGSCWWMN-UHFFFAOYSA-N
Smiles	CN(C)CCOC(=O)c1ccc(cc1)N=[N+]=[N-]
InChI	InChI=1S/C11H14N4O2/c1-15(2)7-8-17-11(16)9-3-5-10(6-4-9)13-14-12/h3-6H,7-8H2,1-2H3

InChI Key

PQKIJCOGSCWWMN-UHFFFAOYSA-N

Smiles

CN(C)CCOC(=O)c1ccc(cc1)N=[N+]=[N-]

InChI

InChI=1S/C11H14N4O2/c1-15(2)7-8-17-11(16)9-3-5-10(6-4-9)13-14-12/h3-6H,7-8H2,1-2H3

Property Name	Value
Molecular Formula	C11H14N4O2
Molecular Weight	234.11
AlogP	2.35
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	78.3
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C11H14N4O2

Molecular Weight

234.11

AlogP

2.35

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

78.3

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	84389-35-5
NORMAN SUSDAT
FDA SRS	QZF4XYZ9ZA
PubChem	3019851
ChemSpider	2286920.0

Resources

Reference

CAS NUMBER

84389-35-5

NORMAN SUSDAT

FDA SRS

QZF4XYZ9ZA

PubChem

3019851

ChemSpider

2286920.0

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...

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Last update: Monday, 3 November 2025

2-(DIMETHYLAMINO)ETHYL 4-AZIDOBENZOATE

Structure

Physicochemical Descriptors

Cross References