EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0TO8E448UD
EPA CompTox	DTXSID2060387

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0TO8E448UD

EPA CompTox

DTXSID2060387


InChI Key	DFQICHCWIIJABH-UHFFFAOYSA-N
Smiles	Oc1ccc2ccc(O)cc2c1
InChI	InChI=1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H

InChI Key

DFQICHCWIIJABH-UHFFFAOYSA-N

Smiles

Oc1ccc2ccc(O)cc2c1

InChI

InChI=1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H

Property Name	Value
Molecular Formula	C10H8O2
Molecular Weight	160.05
AlogP	2.25
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H8O2

Molecular Weight

160.05

AlogP

2.25

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	582-17-2
NORMAN SUSDAT
FDA SRS	0TO8E448UD
PubChem	11397
ChemSpider	10919.0

Resources

Reference

CAS NUMBER

582-17-2

NORMAN SUSDAT

FDA SRS

0TO8E448UD

PubChem

11397

ChemSpider

10919.0

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

2,7-NAPHTHALENEDIOL

Structure

Physicochemical Descriptors

Cross References