EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JZE2KHJ2WG
EPA CompTox	DTXSID30184423

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JZE2KHJ2WG

EPA CompTox

DTXSID30184423


InChI Key	FRBUNLLUASHNDJ-UHFFFAOYSA-N
Smiles	NNc1ccccc1[N+]([O-])=O
InChI	InChI=1S/C6H7N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4,8H,7H2

InChI Key

FRBUNLLUASHNDJ-UHFFFAOYSA-N

Smiles

NNc1ccccc1[N+]([O-])=O

InChI

InChI=1S/C6H7N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4,8H,7H2

Property Name	Value
Molecular Formula	C6H7N3O2
Molecular Weight	153.05
AlogP	0.88
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	81.19
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H7N3O2

Molecular Weight

153.05

AlogP

0.88

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

81.19

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	3034-19-3
NORMAN SUSDAT
FDA SRS	JZE2KHJ2WG
PubChem	3314739
ChemSpider	2562542.0

Resources

Reference

CAS NUMBER

3034-19-3

NORMAN SUSDAT

FDA SRS

JZE2KHJ2WG

PubChem

3314739

ChemSpider

2562542.0

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

2-NITROPHENYLHYDRAZINE

Structure

Physicochemical Descriptors

Cross References