EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7CC5CL28DK
EPA CompTox	DTXSID8058908

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7CC5CL28DK

EPA CompTox

DTXSID8058908


InChI Key	BOTGCZBEERTTDQ-UHFFFAOYSA-N
Smiles	COc1c2ccccc2c(O)cc1
InChI	InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3

InChI Key

BOTGCZBEERTTDQ-UHFFFAOYSA-N

Smiles

COc1c2ccccc2c(O)cc1

InChI

InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3

Property Name	Value
Molecular Formula	C11H10O2
Molecular Weight	174.07
AlogP	2.55
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	29.46
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H10O2

Molecular Weight

174.07

AlogP

2.55

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

29.46

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	84-85-5
NORMAN SUSDAT
FDA SRS	7CC5CL28DK
PubChem	66542
ChemSpider	59913.0

Resources

Reference

CAS NUMBER

84-85-5

NORMAN SUSDAT

FDA SRS

7CC5CL28DK

PubChem

66542

ChemSpider

59913.0

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-NAPHTHALENOL, 4-METHOXY-

Structure

Physicochemical Descriptors

Cross References