EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HAW3U8B8S3
EPA CompTox	DTXSID30209403

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HAW3U8B8S3

EPA CompTox

DTXSID30209403


InChI Key	LYGGDXLOJMNFBV-UHFFFAOYSA-N
Smiles	NNC(=O)c1ccccc1[N+](=O)[O-]
InChI	InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)

InChI Key

LYGGDXLOJMNFBV-UHFFFAOYSA-N

Smiles

NNC(=O)c1ccccc1[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)

Property Name	Value
Molecular Formula	C7H7N3O3
Molecular Weight	181.05
AlogP	0.77
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	101.75
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H7N3O3

Molecular Weight

181.05

AlogP

0.77

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

101.75

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	606-26-8
NORMAN SUSDAT
FDA SRS	HAW3U8B8S3
PubChem	3781218
ChemSpider	3009396.0

Resources

Reference

CAS NUMBER

606-26-8

NORMAN SUSDAT

FDA SRS

HAW3U8B8S3

PubChem

3781218

ChemSpider

3009396.0

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

O-NITROBENZOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References