EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9UK8XYK4BP
EPA CompTox	DTXSID1070353

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9UK8XYK4BP

EPA CompTox

DTXSID1070353


InChI Key	LVFGSFGSVRMEDI-UHFFFAOYSA-N
Smiles	CC(=O)Nc1c(Br)cc2ccccc2c1
InChI	InChI=1S/C12H10BrNO/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13/h2-7H,1H3,(H,14,15)

InChI Key

LVFGSFGSVRMEDI-UHFFFAOYSA-N

Smiles

CC(=O)Nc1c(Br)cc2ccccc2c1

InChI

InChI=1S/C12H10BrNO/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13/h2-7H,1H3,(H,14,15)

Property Name	Value
Molecular Formula	C12H10Br1N1O1
Molecular Weight	262.99
AlogP	4.21
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	32.59
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H10Br1N1O1

Molecular Weight

262.99

AlogP

4.21

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

32.59

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	65776-66-1
NORMAN SUSDAT
FDA SRS	9UK8XYK4BP
PubChem	105210
ChemSpider	94909.0

Resources

Reference

CAS NUMBER

65776-66-1

NORMAN SUSDAT

FDA SRS

9UK8XYK4BP

PubChem

105210

ChemSpider

94909.0

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-(3-BROMO-2-NAPHTHALENYL)-

Structure

Physicochemical Descriptors

Cross References