EcoDrugPlus


Synonyms	6-Hydroxycoumarin
Molecule Category	Free-form
UNII	7FS6H939K6
EPA CompTox	DTXSID70209760
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

6-Hydroxycoumarin

Molecule Category

Free-form

UNII

7FS6H939K6

EPA CompTox

DTXSID70209760

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	CJIJXIFQYOPWTF-UHFFFAOYSA-N
Smiles	Oc1ccc2OC(=O)C=Cc2c1
InChI	InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H

InChI Key

CJIJXIFQYOPWTF-UHFFFAOYSA-N

Smiles

Oc1ccc2OC(=O)C=Cc2c1

InChI

InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H

Property Name	Value
Molecular Formula	C9H6O3
Molecular Weight	162.14
AlogP	1.66
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	46.53
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H6O3

Molecular Weight

162.14

AlogP

1.66

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

46.53

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	6093-68-1
ChEMBL	CHEMBL243263
FDA SRS	7FS6H939K6
PubChem	99477
SureChEMBL	SCHEMBL187709
ZINC	ZINC01757340

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

6-HYDROXYCOUMARIN

Structure

Physicochemical Descriptors

Cross References