EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K4H0YVF8J4
EPA CompTox	DTXSID60206905

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K4H0YVF8J4

EPA CompTox

DTXSID60206905


InChI Key	DXGIRFAFSFKYCF-UHFFFAOYSA-N
Smiles	CCC(=O)NN
InChI	InChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)

InChI Key

DXGIRFAFSFKYCF-UHFFFAOYSA-N

Smiles

CCC(=O)NN

InChI

InChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)

Property Name	Value
Molecular Formula	C3H8N2O1
Molecular Weight	88.06
AlogP	0.23
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	58.61
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C3H8N2O1

Molecular Weight

88.06

AlogP

0.23

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

58.61

Heavy Atoms

6.0

Resources	Reference
CAS NUMBER	5818-15-5
NORMAN SUSDAT
FDA SRS	K4H0YVF8J4
PubChem	79890
ChemSpider	72180.0

Resources

Reference

CAS NUMBER

5818-15-5

NORMAN SUSDAT

FDA SRS

K4H0YVF8J4

PubChem

79890

ChemSpider

72180.0

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

PROPANOIC ACID, HYDRAZIDE (9CI)

Structure

Physicochemical Descriptors

Cross References