EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C8K66XCQ6L
EPA CompTox	DTXSID30184983

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C8K66XCQ6L

EPA CompTox

DTXSID30184983


InChI Key	LIFAQMGORKPVDH-UHFFFAOYSA-N
Smiles	CCOc1ccc2ccc(=O)oc2c1
InChI	InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

InChI Key

LIFAQMGORKPVDH-UHFFFAOYSA-N

Smiles

CCOc1ccc2ccc(=O)oc2c1

InChI

InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

Property Name	Value
Molecular Formula	C11H10O3
Molecular Weight	190.06
AlogP	2.19
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	39.44
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H10O3

Molecular Weight

190.06

AlogP

2.19

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

39.44

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	31005-02-4
NORMAN SUSDAT
FDA SRS	C8K66XCQ6L
PubChem	35703
ChemSpider	32841.0

Resources

Reference

CAS NUMBER

31005-02-4

NORMAN SUSDAT

FDA SRS

C8K66XCQ6L

PubChem

35703

ChemSpider

32841.0

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

7-ETHOXYCOUMARIN

Structure

Physicochemical Descriptors

Cross References