EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10705392

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10705392


InChI Key	MWKQPIROPJSFRI-UHFFFAOYSA-N
Smiles	CNC(C)C(=O)c1ccc(F)cc1
InChI	InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3

InChI Key

MWKQPIROPJSFRI-UHFFFAOYSA-N

Smiles

CNC(C)C(=O)c1ccc(F)cc1

InChI

InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3

Property Name	Value
Molecular Formula	C10H12F1N1O1
Molecular Weight	181.09
AlogP	1.62
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	29.1
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H12F1N1O1

Molecular Weight

181.09

AlogP

1.62

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

29.1

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	7589-35-7
NORMAN SUSDAT
PubChem	49853406
ChemSpider	21477355.0

Resources

Reference

CAS NUMBER

7589-35-7

NORMAN SUSDAT

PubChem

49853406

ChemSpider

21477355.0

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-FLUOROPHENYL)-2-(METHYLAMINO)PROPAN-1-ONE--HYDROGEN CHLORIDE (1/1)

Structure

Physicochemical Descriptors

Cross References