EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50987130

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50987130


InChI Key	RESXWKTXWDVKIF-UHFFFAOYSA-N
Smiles	O=C(NCC)C(Cl)C
InChI	InChI=1/C5H10ClNO/c1-3-7-5(8)4(2)6/h4H,3H2,1-2H3,(H,7,8)

InChI Key

RESXWKTXWDVKIF-UHFFFAOYSA-N

Smiles

O=C(NCC)C(Cl)C

InChI

InChI=1/C5H10ClNO/c1-3-7-5(8)4(2)6/h4H,3H2,1-2H3,(H,7,8)

Property Name	Value
Molecular Formula	C5H10ClNO
Molecular Weight	135.05
AlogP	1.59
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	32.59
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H10ClNO

Molecular Weight

135.05

AlogP

1.59

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

32.59

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	67791-81-5
NORMAN SUSDAT
PubChem	105620

Resources

Reference

CAS NUMBER

67791-81-5

NORMAN SUSDAT

PubChem

105620

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...

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Last update: Monday, 3 November 2025

2-CHLORO-N-ETHYLPROPIONAMIDE

Structure

Physicochemical Descriptors

Cross References