EcoDrugPlus


Synonyms	7-Acetoxycoumarin
Molecule Category	Free-form
UNII	S8L7MG576C
EPA CompTox	DTXSID00146114
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

7-Acetoxycoumarin

Molecule Category

Free-form

UNII

S8L7MG576C

EPA CompTox

DTXSID00146114

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	MGZOXZPZHVOXQB-UHFFFAOYSA-N
Smiles	CC(=O)Oc1ccc2C=CC(=O)Oc2c1
InChI	InChI=1S/C11H8O4/c1-7(12)14-9-4-2-8-3-5-11(13)15-10(8)6-9/h2-6H,1H3

InChI Key

MGZOXZPZHVOXQB-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccc2C=CC(=O)Oc2c1

InChI

InChI=1S/C11H8O4/c1-7(12)14-9-4-2-8-3-5-11(13)15-10(8)6-9/h2-6H,1H3

Property Name	Value
Molecular Formula	C11H8O4
Molecular Weight	204.18
AlogP	1.67
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	52.6
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H8O4

Molecular Weight

204.18

AlogP

1.67

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

52.6

Heavy Atoms

15.0

Resources	Reference
ChEMBL	CHEMBL487711
FDA SRS	S8L7MG576C
PubChem	928228

Resources

Reference

ChEMBL

CHEMBL487711

FDA SRS

S8L7MG576C

PubChem

928228

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-ACETOXYCOUMARIN

Structure

Physicochemical Descriptors

Cross References