EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BV0Q72R613
EPA CompTox	DTXSID4052683

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BV0Q72R613

EPA CompTox

DTXSID4052683


InChI Key	AFMVESZOYKHDBJ-UHFFFAOYSA-N
Smiles	OC1c2ccccc2c2c1cccc2
InChI	InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H

InChI Key

AFMVESZOYKHDBJ-UHFFFAOYSA-N

Smiles

OC1c2ccccc2c2c1cccc2

InChI

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

Property Name	Value
Molecular Formula	C13H10O1
Molecular Weight	182.07
AlogP	2.75
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

2.75

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1689-64-1
NORMAN SUSDAT
FDA SRS	BV0Q72R613
PubChem	74318
ChemSpider	66916.0

Resources

Reference

CAS NUMBER

1689-64-1

NORMAN SUSDAT

FDA SRS

BV0Q72R613

PubChem

74318

ChemSpider

66916.0

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

FLUOREN-9-OL

Structure

Physicochemical Descriptors

Cross References