EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	41I30K2F5W
EPA CompTox	DTXSID3032759

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

41I30K2F5W

EPA CompTox

DTXSID3032759


InChI Key	NHEVNUARLCWEED-UHFFFAOYSA-N
Smiles	Oc1ccc(O)c2c1cccc2O
InChI	InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H

InChI Key

NHEVNUARLCWEED-UHFFFAOYSA-N

Smiles

Oc1ccc(O)c2c1cccc2O

InChI

InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H

Property Name	Value
Molecular Formula	C10H8O3
Molecular Weight	176.05
AlogP	1.96
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Polar Surface Area	60.69
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H8O3

Molecular Weight

176.05

AlogP

1.96

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Polar Surface Area

60.69

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	481-40-3
NORMAN SUSDAT
FDA SRS	41I30K2F5W
PubChem	3083585
ChemSpider	2340766.0

Resources

Reference

CAS NUMBER

481-40-3

NORMAN SUSDAT

FDA SRS

41I30K2F5W

PubChem

3083585

ChemSpider

2340766.0

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

1,4,5-TRIHYDROXYNAPHTHALENE

Structure

Physicochemical Descriptors

Cross References