EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID2025428

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID2025428


InChI Key	CSFWPUWCSPOLJW-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)C=C(C2=O)O
InChI	InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H

InChI Key

CSFWPUWCSPOLJW-UHFFFAOYSA-N

Smiles

C1=CC=C2C(=C1)C(=O)C=C(C2=O)O

InChI

InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H

Property Name	Value
Molecular Formula	C10H6O3
Molecular Weight	174.03
AlogP	1.51
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	54.37
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H6O3

Molecular Weight

174.03

AlogP

1.51

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

54.37

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	83-72-7
NORMAN SUSDAT
PubChem	6755
ChemSpider	10430995.0

Resources

Reference

CAS NUMBER

83-72-7

NORMAN SUSDAT

PubChem

6755

ChemSpider

10430995.0

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

2-HYDROXY-1,4-NAPHTHOQUINONE

Structure

Physicochemical Descriptors

Cross References