EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5KB3N2WUR9
EPA CompTox	DTXSID4075409

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5KB3N2WUR9

EPA CompTox

DTXSID4075409


InChI Key	GEZMEIHVFSWOCA-UHFFFAOYSA-N
Smiles	FC1=CC=C(C=C1)CO
InChI	InChI=1/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChI Key

GEZMEIHVFSWOCA-UHFFFAOYSA-N

Smiles

FC1=CC=C(C=C1)CO

InChI

InChI=1/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Property Name	Value
Molecular Formula	C7H7FO
Molecular Weight	126.05
AlogP	1.32
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H7FO

Molecular Weight

126.05

AlogP

1.32

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	459-56-3
NORMAN SUSDAT
FDA SRS	5KB3N2WUR9
PubChem	68022

Resources

Reference

CAS NUMBER

459-56-3

NORMAN SUSDAT

FDA SRS

5KB3N2WUR9

PubChem

68022

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

4-FLUOROBENZYLIC ALCOHOL

Structure

Physicochemical Descriptors

Cross References