EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C7588WEA3R
EPA CompTox	DTXSID2047569

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C7588WEA3R

EPA CompTox

DTXSID2047569


InChI Key	ZDOIAPGLORMKTR-UHFFFAOYSA-N
Smiles	Oc1cc2c(cc1)c1c(C2)cccc1
InChI	InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2

InChI Key

ZDOIAPGLORMKTR-UHFFFAOYSA-N

Smiles

Oc1cc2c(cc1)c1c(C2)cccc1

InChI

InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2

Property Name	Value
Molecular Formula	C13H10O1
Molecular Weight	182.07
AlogP	2.96
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H10O1

Molecular Weight

182.07

AlogP

2.96

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	2443-58-5
NORMAN SUSDAT
FDA SRS	C7588WEA3R
PubChem	75547
ChemSpider	68072.0

Resources

Reference

CAS NUMBER

2443-58-5

NORMAN SUSDAT

FDA SRS

C7588WEA3R

PubChem

75547

ChemSpider

68072.0

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

2-HYDROXYFLUORENE

Structure

Physicochemical Descriptors

Cross References