EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L22JP3KC84
EPA CompTox	DTXSID20149985

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L22JP3KC84

EPA CompTox

DTXSID20149985


InChI Key	AMHOPTNGSNYSBL-UHFFFAOYSA-N
Smiles	CCC(=O)C1CCCCC1
InChI	InChI=1S/C9H16O/c1-2-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChI Key

AMHOPTNGSNYSBL-UHFFFAOYSA-N

Smiles

CCC(=O)C1CCCCC1

InChI

InChI=1S/C9H16O/c1-2-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3

Property Name	Value
Molecular Formula	C9H16O1
Molecular Weight	140.12
AlogP	2.55
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	17.07
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C9H16O1

Molecular Weight

140.12

AlogP

2.55

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

17.07

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	1123-86-0
NORMAN SUSDAT
FDA SRS	L22JP3KC84
PubChem	70748
ChemSpider	63913.0

Resources

Reference

CAS NUMBER

1123-86-0

NORMAN SUSDAT

FDA SRS

L22JP3KC84

PubChem

70748

ChemSpider

63913.0

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

1-CYCLOHEXYLPROPAN-1-ONE

Structure

Physicochemical Descriptors

Cross References