EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M6G99CDT8G
EPA CompTox	DTXSID70169557

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M6G99CDT8G

EPA CompTox

DTXSID70169557


InChI Key	MYRXDLASSYFCAC-UHFFFAOYSA-N
Smiles	Cc1c(O)cc2ccccc2c1
InChI	InChI=1S/C11H10O/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H3

InChI Key

MYRXDLASSYFCAC-UHFFFAOYSA-N

Smiles

Cc1c(O)cc2ccccc2c1

InChI

InChI=1S/C11H10O/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H3

Property Name	Value
Molecular Formula	C11H10O1
Molecular Weight	158.07
AlogP	2.85
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C11H10O1

Molecular Weight

158.07

AlogP

2.85

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	17324-04-8
NORMAN SUSDAT
FDA SRS	M6G99CDT8G
PubChem	87050
ChemSpider	78522.0

Resources

Reference

CAS NUMBER

17324-04-8

NORMAN SUSDAT

FDA SRS

M6G99CDT8G

PubChem

87050

ChemSpider

78522.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

3-METHYL-2-NAPHTHOL

Structure

Physicochemical Descriptors

Cross References