EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CDU62UJG8S
EPA CompTox	DTXSID20144854

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CDU62UJG8S

EPA CompTox

DTXSID20144854


InChI Key	WFQYZMBZJONURU-UHFFFAOYSA-N
Smiles	CNc1ccc(cc1[N+]([O-])=O)N(C)CCO
InChI	InChI=1S/C10H15N3O3/c1-11-9-4-3-8(12(2)5-6-14)7-10(9)13(15)16/h3-4,7,11,14H,5-6H2,1-2H3

InChI Key

WFQYZMBZJONURU-UHFFFAOYSA-N

Smiles

CNc1ccc(cc1[N+]([O-])=O)N(C)CCO

InChI

InChI=1S/C10H15N3O3/c1-11-9-4-3-8(12(2)5-6-14)7-10(9)13(15)16/h3-4,7,11,14H,5-6H2,1-2H3

Property Name	Value
Molecular Formula	C10H15N3O3
Molecular Weight	225.11
AlogP	1.07
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	78.64
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H15N3O3

Molecular Weight

225.11

AlogP

1.07

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

78.64

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	10228-03-2
NORMAN SUSDAT
FDA SRS	CDU62UJG8S
PubChem	82470
ChemSpider	74428.0

Resources

Reference

CAS NUMBER

10228-03-2

NORMAN SUSDAT

FDA SRS

CDU62UJG8S

PubChem

82470

ChemSpider

74428.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N,N'-DIMETHYL-N-HYDROXYETHYL-3-NITRO-P-PHENYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References