EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2R5017T335
EPA CompTox	DTXSID30205985

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2R5017T335

EPA CompTox

DTXSID30205985


InChI Key	NXPPAOGUKPJVDI-UHFFFAOYSA-N
Smiles	OC=1C=CC=2C=CC=CC2C1O
InChI	InChI=1/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H

InChI Key

NXPPAOGUKPJVDI-UHFFFAOYSA-N

Smiles

OC=1C=CC=2C=CC=CC2C1O

InChI

InChI=1/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/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	574-00-5
NORMAN SUSDAT
FDA SRS	2R5017T335
PubChem	11318

Resources

Reference

CAS NUMBER

574-00-5

NORMAN SUSDAT

FDA SRS

2R5017T335

PubChem

11318

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

NAPHTHALENE-1,2-DIOL

Structure

Physicochemical Descriptors

Cross References