EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SX8QU8BN6T
EPA CompTox	DTXSID70202317

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SX8QU8BN6T

EPA CompTox

DTXSID70202317


InChI Key	BWGYGWYDRUDOSS-UHFFFAOYSA-N
Smiles	CC(=O)Nc1c2ccc(O)cc2ccc1
InChI	InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-7-10(15)5-6-11(9)12/h2-7,15H,1H3,(H,13,14)

InChI Key

BWGYGWYDRUDOSS-UHFFFAOYSA-N

Smiles

CC(=O)Nc1c2ccc(O)cc2ccc1

InChI

InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-7-10(15)5-6-11(9)12/h2-7,15H,1H3,(H,13,14)

Property Name	Value
Molecular Formula	C12H11N1O2
Molecular Weight	201.08
AlogP	3.15
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	52.82
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H11N1O2

Molecular Weight

201.08

AlogP

3.15

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

52.82

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5400-20-4
NORMAN SUSDAT
FDA SRS	SX8QU8BN6T
PubChem	79394
ChemSpider	71713.0

Resources

Reference

CAS NUMBER

5400-20-4

NORMAN SUSDAT

FDA SRS

SX8QU8BN6T

PubChem

79394

ChemSpider

71713.0

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

N-(6-HYDROXY-1-NAPHTHYL)ACETAMIDE

Structure

Physicochemical Descriptors

Cross References