EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6FN2UP8SYR
EPA CompTox	DTXSID00185487

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6FN2UP8SYR

EPA CompTox

DTXSID00185487


InChI Key	GAMOBQXCYKWQLT-UHFFFAOYSA-N
Smiles	O=C(C1=CC=C(F)C=2C=CC=CC21)C
InChI	InChI=1/C12H9FO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-7H,1H3

InChI Key

GAMOBQXCYKWQLT-UHFFFAOYSA-N

Smiles

O=C(C1=CC=C(F)C=2C=CC=CC21)C

InChI

InChI=1/C12H9FO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-7H,1H3

Property Name	Value
Molecular Formula	C12H9FO
Molecular Weight	188.06
AlogP	3.18
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	17.07
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H9FO

Molecular Weight

188.06

AlogP

3.18

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

17.07

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	316-68-7
NORMAN SUSDAT
FDA SRS	6FN2UP8SYR
PubChem	67568

Resources

Reference

CAS NUMBER

316-68-7

NORMAN SUSDAT

FDA SRS

6FN2UP8SYR

PubChem

67568

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

1-(4-FLUORO-1-NAPHTHYL)ETHAN-1-ONE

Structure

Physicochemical Descriptors

Cross References