EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5JR8QU7L54
EPA CompTox	DTXSID10185973

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5JR8QU7L54

EPA CompTox

DTXSID10185973


InChI Key	SIYYUGJLIUFRLD-UHFFFAOYSA-N
Smiles	FC=1C=CC(=C(F)C1F)C=2C=CC3=C(O)C=CN=C3C2
InChI	InChI=1/C15H8F3NO/c16-11-4-3-9(14(17)15(11)18)8-1-2-10-12(7-8)19-6-5-13(10)20/h1-7H,(H,19,20)

InChI Key

SIYYUGJLIUFRLD-UHFFFAOYSA-N

Smiles

FC=1C=CC(=C(F)C1F)C=2C=CC3=C(O)C=CN=C3C2

InChI

InChI=1/C15H8F3NO/c16-11-4-3-9(14(17)15(11)18)8-1-2-10-12(7-8)19-6-5-13(10)20/h1-7H,(H,19,20)

Property Name	Value
Molecular Formula	C15H8F3NO
Molecular Weight	275.06
AlogP	3.61
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	32.86
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H8F3NO

Molecular Weight

275.06

AlogP

3.61

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

32.86

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	322-97-4
NORMAN SUSDAT
FDA SRS	5JR8QU7L54
PubChem	21114820

Resources

Reference

CAS NUMBER

322-97-4

NORMAN SUSDAT

FDA SRS

5JR8QU7L54

PubChem

21114820

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

7-(TRIFLUOROPHENYL)QUINOLIN-4-OL

Structure

Physicochemical Descriptors

Cross References