EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A4HQH7S75D
EPA CompTox	DTXSID4067517

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A4HQH7S75D

EPA CompTox

DTXSID4067517


InChI Key	OMMMMWZZJZZMLV-UHFFFAOYSA-N
Smiles	CNNC(=O)C
InChI	InChI=1S/C3H8N2O/c1-3(6)5-4-2/h4H,1-2H3,(H,5,6)

InChI Key

OMMMMWZZJZZMLV-UHFFFAOYSA-N

Smiles

CNNC(=O)C

InChI

InChI=1S/C3H8N2O/c1-3(6)5-4-2/h4H,1-2H3,(H,5,6)

Property Name	Value
Molecular Formula	C3H8N2O1
Molecular Weight	88.06
AlogP	0.1
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	44.62
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C3H8N2O1

Molecular Weight

88.06

AlogP

0.1

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

44.62

Heavy Atoms

6.0

Resources	Reference
CAS NUMBER	29817-35-4
NORMAN SUSDAT
FDA SRS	A4HQH7S75D
PubChem	122488
ChemSpider	109210.0

Resources

Reference

CAS NUMBER

29817-35-4

NORMAN SUSDAT

FDA SRS

A4HQH7S75D

PubChem

122488

ChemSpider

109210.0

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

ACETIC ACID, 2-METHYLHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References