EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HWC75SP4UG
EPA CompTox	DTXSID60997285

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HWC75SP4UG

EPA CompTox

DTXSID60997285


InChI Key	IXSCGBODJGIJNN-UHFFFAOYSA-N
Smiles	O=C(O)C(C1=CC=C(F)C=C1)C
InChI	InChI=1/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)

InChI Key

IXSCGBODJGIJNN-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)

Property Name	Value
Molecular Formula	C9H9FO2
Molecular Weight	168.06
AlogP	2.01
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	37.3
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H9FO2

Molecular Weight

168.06

AlogP

2.01

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

37.3

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	75908-73-5
NORMAN SUSDAT
FDA SRS	HWC75SP4UG
PubChem	2723915

Resources

Reference

CAS NUMBER

75908-73-5

NORMAN SUSDAT

FDA SRS

HWC75SP4UG

PubChem

2723915

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-(4-FLUOROPHENYL)PROPIONIC ACID

Structure

Physicochemical Descriptors

Cross References