EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WM5GGF7BQ6
EPA CompTox	DTXSID7021657

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WM5GGF7BQ6

EPA CompTox

DTXSID7021657


InChI Key	SKBBQSLSGRSQAJ-UHFFFAOYSA-N
Smiles	O=C(c(ccc(c1)C(=O)C)c1)C
InChI	InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3

InChI Key

SKBBQSLSGRSQAJ-UHFFFAOYSA-N

Smiles

O=C(c(ccc(c1)C(=O)C)c1)C

InChI

InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3

Property Name	Value
Molecular Formula	C10H10O2
Molecular Weight	162.07
AlogP	2.09
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	34.14
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H10O2

Molecular Weight

162.07

AlogP

2.09

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

34.14

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1009-61-6
NORMAN SUSDAT
FDA SRS	WM5GGF7BQ6
PubChem	13888
ChemSpider	13287.0

Resources

Reference

CAS NUMBER

1009-61-6

NORMAN SUSDAT

FDA SRS

WM5GGF7BQ6

PubChem

13888

ChemSpider

13287.0

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...

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Last update: Monday, 3 November 2025

1,1-(1,4-PHENYLENE)BIS-ETHANONE

Structure

Physicochemical Descriptors

Cross References