EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DQY946EP4R
EPA CompTox	DTXSID80195802

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DQY946EP4R

EPA CompTox

DTXSID80195802


InChI Key	KJWOKPNZBJOGLI-UHFFFAOYSA-N
Smiles	NNc1ccc(cc1)N=O
InChI	InChI=1S/C6H7N3O/c7-8-5-1-3-6(9-10)4-2-5/h1-4,8H,7H2

InChI Key

KJWOKPNZBJOGLI-UHFFFAOYSA-N

Smiles

NNc1ccc(cc1)N=O

InChI

InChI=1S/C6H7N3O/c7-8-5-1-3-6(9-10)4-2-5/h1-4,8H,7H2

Property Name	Value
Molecular Formula	C6H7N3O1
Molecular Weight	137.06
AlogP	1.37
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	67.48
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H7N3O1

Molecular Weight

137.06

AlogP

1.37

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

67.48

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	43230-06-4
NORMAN SUSDAT
FDA SRS	DQY946EP4R
PubChem	3016423
ChemSpider	2284371.0

Resources

Reference

CAS NUMBER

43230-06-4

NORMAN SUSDAT

FDA SRS

DQY946EP4R

PubChem

3016423

ChemSpider

2284371.0

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

4-NITROSOPHENYLHYDRAZINE

Structure

Physicochemical Descriptors

Cross References