EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JYT7CQ9CVZ
EPA CompTox	DTXSID5074393

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JYT7CQ9CVZ

EPA CompTox

DTXSID5074393


InChI Key	QOGMZIQMZUXOKM-UHFFFAOYSA-N
Smiles	OC(=O)CC1=CCCC1
InChI	InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h3H,1-2,4-5H2,(H,8,9)

InChI Key

QOGMZIQMZUXOKM-UHFFFAOYSA-N

Smiles

OC(=O)CC1=CCCC1

InChI

InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h3H,1-2,4-5H2,(H,8,9)

Property Name	Value
Molecular Formula	C7H10O2
Molecular Weight	126.07
AlogP	1.57
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	37.3
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H10O2

Molecular Weight

126.07

AlogP

1.57

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

37.3

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	21622-08-2
NORMAN SUSDAT
FDA SRS	JYT7CQ9CVZ
PubChem	88975
ChemSpider	80286.0

Resources

Reference

CAS NUMBER

21622-08-2

NORMAN SUSDAT

FDA SRS

JYT7CQ9CVZ

PubChem

88975

ChemSpider

80286.0

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-CYCLOPENTENE-1-ACETIC ACID

Structure

Physicochemical Descriptors

Cross References