EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6WFL6Q9M92
EPA CompTox	DTXSID5060358

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6WFL6Q9M92

EPA CompTox

DTXSID5060358


InChI Key	OKQIEBVRUGLWOR-UHFFFAOYSA-N
Smiles	CC(=O)Nc1c2ccccc2ccc1
InChI	InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)

InChI Key

OKQIEBVRUGLWOR-UHFFFAOYSA-N

Smiles

CC(=O)Nc1c2ccccc2ccc1

InChI

InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)

Property Name	Value
Molecular Formula	C12H11N1O1
Molecular Weight	185.08
AlogP	3.45
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	32.59
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H11N1O1

Molecular Weight

185.08

AlogP

3.45

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

32.59

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	575-36-0
NORMAN SUSDAT
FDA SRS	6WFL6Q9M92
PubChem	68461
ChemSpider	61738.0

Resources

Reference

CAS NUMBER

575-36-0

NORMAN SUSDAT

FDA SRS

6WFL6Q9M92

PubChem

68461

ChemSpider

61738.0

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

ACETAMIDE, N-1-NAPHTHALENYL-

Structure

Physicochemical Descriptors

Cross References