EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JP8NKN8BJC
EPA CompTox	DTXSID10192344

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JP8NKN8BJC

EPA CompTox

DTXSID10192344


InChI Key	AUVBTYHBLOKUTN-UHFFFAOYSA-N
Smiles	FC=1C=CC=CC1C2=NC=C(O2)C=3C=CC=CC3
InChI	InChI=1/C15H10FNO/c16-13-9-5-4-8-12(13)15-17-10-14(18-15)11-6-2-1-3-7-11/h1-10H

InChI Key

AUVBTYHBLOKUTN-UHFFFAOYSA-N

Smiles

FC=1C=CC=CC1C2=NC=C(O2)C=3C=CC=CC3

InChI

InChI=1/C15H10FNO/c16-13-9-5-4-8-12(13)15-17-10-14(18-15)11-6-2-1-3-7-11/h1-10H

Property Name	Value
Molecular Formula	C15H10FNO
Molecular Weight	239.07
AlogP	4.15
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.03
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H10FNO

Molecular Weight

239.07

AlogP

4.15

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.03

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	391-07-1
NORMAN SUSDAT
FDA SRS	JP8NKN8BJC
PubChem	96844

Resources

Reference

CAS NUMBER

391-07-1

NORMAN SUSDAT

FDA SRS

JP8NKN8BJC

PubChem

96844

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-(2-FLUOROPHENYL)-5-PHENYLOXAZOLE

Structure

Physicochemical Descriptors

Cross References