EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	COU5JQ433I
EPA CompTox	DTXSID50225665

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

COU5JQ433I

EPA CompTox

DTXSID50225665


InChI Key	SRJCJJKWVSSELL-UHFFFAOYSA-N
Smiles	Cc1ccc2ccccc2c1O
InChI	InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7,12H,1H3

InChI Key

SRJCJJKWVSSELL-UHFFFAOYSA-N

Smiles

Cc1ccc2ccccc2c1O

InChI

InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)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	7469-77-4
NORMAN SUSDAT
FDA SRS	COU5JQ433I
PubChem	24055
ChemSpider	22487.0

Resources

Reference

CAS NUMBER

7469-77-4

NORMAN SUSDAT

FDA SRS

COU5JQ433I

PubChem

24055

ChemSpider

22487.0

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...

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Last update: Monday, 3 November 2025

2-METHYL-1-NAPHTHOL

Structure

Physicochemical Descriptors

Cross References