EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L69X951WW4
EPA CompTox	DTXSID10179478

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L69X951WW4

EPA CompTox

DTXSID10179478


InChI Key	CGCQHMFVCNWSOV-UHFFFAOYSA-N
Smiles	O=C(c1ccccc1)c1ccc(cc1)N1CCOCC1
InChI	InChI=1S/C17H17NO2/c19-17(14-4-2-1-3-5-14)15-6-8-16(9-7-15)18-10-12-20-13-11-18/h1-9H,10-13H2

InChI Key

CGCQHMFVCNWSOV-UHFFFAOYSA-N

Smiles

O=C(c1ccccc1)c1ccc(cc1)N1CCOCC1

InChI

InChI=1S/C17H17NO2/c19-17(14-4-2-1-3-5-14)15-6-8-16(9-7-15)18-10-12-20-13-11-18/h1-9H,10-13H2

Property Name	Value
Molecular Formula	C17H17N1O2
Molecular Weight	267.13
AlogP	2.75
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	29.54
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H17N1O2

Molecular Weight

267.13

AlogP

2.75

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

29.54

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	24758-49-4
NORMAN SUSDAT
FDA SRS	L69X951WW4
PubChem	90600
ChemSpider	81802.0

Resources

Reference

CAS NUMBER

24758-49-4

NORMAN SUSDAT

FDA SRS

L69X951WW4

PubChem

90600

ChemSpider

81802.0

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, 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-MORPHOLINOBENZOPHENONE

Structure

Physicochemical Descriptors

Cross References