EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZC5YP57PSW
EPA CompTox	DTXSID8075419

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZC5YP57PSW

EPA CompTox

DTXSID8075419


InChI Key	BNBQRQQYDMDJAH-UHFFFAOYSA-N
Smiles	C1COc2c(O1)cccc2
InChI	InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2

InChI Key

BNBQRQQYDMDJAH-UHFFFAOYSA-N

Smiles

C1COc2c(O1)cccc2

InChI

InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2

Property Name	Value
Molecular Formula	C8H8O2
Molecular Weight	136.05
AlogP	1.46
Hydrogen Bond Acceptor	2.0
Polar Surface Area	18.46
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H8O2

Molecular Weight

136.05

AlogP

1.46

Hydrogen Bond Acceptor

2.0

Polar Surface Area

18.46

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	493-09-4
NORMAN SUSDAT
FDA SRS	ZC5YP57PSW
PubChem	10301
ChemSpider	9879.0

Resources

Reference

CAS NUMBER

493-09-4

NORMAN SUSDAT

FDA SRS

ZC5YP57PSW

PubChem

10301

ChemSpider

9879.0

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

1,4-BENZODIOXIN, 2,3-DIHYDRO-

Structure

Physicochemical Descriptors

Cross References