EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2196J847P9
EPA CompTox	DTXSID9074985

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2196J847P9

EPA CompTox

DTXSID9074985


InChI Key	YUIKPESWSMJSMP-UHFFFAOYSA-N
Smiles	NC(=O)C(Br)Br
InChI	InChI=1S/C2H3Br2NO/c3-1(4)2(5)6/h1H,(H2,5,6)

InChI Key

YUIKPESWSMJSMP-UHFFFAOYSA-N

Smiles

NC(=O)C(Br)Br

InChI

InChI=1S/C2H3Br2NO/c3-1(4)2(5)6/h1H,(H2,5,6)

Property Name	Value
Molecular Formula	C2H3Br2N1O1
Molecular Weight	214.86
AlogP	1.64
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	44.08
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C2H3Br2N1O1

Molecular Weight

214.86

AlogP

1.64

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

44.08

Heavy Atoms

6.0

Resources	Reference
CAS NUMBER	598-70-9
NORMAN SUSDAT
FDA SRS	2196J847P9
PubChem	69025
ChemSpider	62247.0

Resources

Reference

CAS NUMBER

598-70-9

NORMAN SUSDAT

FDA SRS

2196J847P9

PubChem

69025

ChemSpider

62247.0

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

2,2-DIBROMOACETAMIDE

Structure

Physicochemical Descriptors

Cross References