EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8A54A97YCR
EPA CompTox	DTXSID1061528

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8A54A97YCR

EPA CompTox

DTXSID1061528


InChI Key	PNZXMIKHJXIPEK-UHFFFAOYSA-N
Smiles	NC(=O)C1CCCCC1
InChI	InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)

InChI Key

PNZXMIKHJXIPEK-UHFFFAOYSA-N

Smiles

NC(=O)C1CCCCC1

InChI

InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)

Property Name	Value
Molecular Formula	C7H13N1O1
Molecular Weight	127.1
AlogP	2.1
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	44.08
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H13N1O1

Molecular Weight

127.1

AlogP

2.1

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

44.08

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	1122-56-1
NORMAN SUSDAT
FDA SRS	8A54A97YCR
PubChem	14283
ChemSpider	13645.0

Resources

Reference

CAS NUMBER

1122-56-1

NORMAN SUSDAT

FDA SRS

8A54A97YCR

PubChem

14283

ChemSpider

13645.0

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

CYCLOHEXANECARBOXAMIDE

Structure

Physicochemical Descriptors

Cross References