EcoDrugPlus


Synonyms	Dibromsalan NSC-20527
Status
Molecule Category	Free-form
UNII	N9900K2RBT
EPA CompTox	DTXSID1041500


InChI Key	CTFFKFYWSOSIAA-UHFFFAOYSA-N
Smiles	O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O
InChI	InChI=1S/C13H9Br2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)

Property Name	Value
Molecular Formula	C13H9Br2NO2
Molecular Weight	371.03
AlogP	4.17
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	49.33
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Resources	Reference
ChEMBL	CHEMBL21869
FDA SRS	N9900K2RBT
PubChem	14839
SureChEMBL	SCHEMBL646973
ZINC	ZINC000000608319

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIBROMSALAN

Structure

Physicochemical Descriptors

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