EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6V2JS8YEB9
EPA CompTox	DTXSID4068115

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6V2JS8YEB9

EPA CompTox

DTXSID4068115


InChI Key	NKWWWOFFAOIWBY-UHFFFAOYSA-N
Smiles	ClP1OCC(CBr)(CBr)CO1
InChI	InChI=1S/C5H8Br2ClO2P/c6-1-5(2-7)3-9-11(8)10-4-5/h1-4H2

InChI Key

NKWWWOFFAOIWBY-UHFFFAOYSA-N

Smiles

ClP1OCC(CBr)(CBr)CO1

InChI

InChI=1S/C5H8Br2ClO2P/c6-1-5(2-7)3-9-11(8)10-4-5/h1-4H2

Property Name	Value
Molecular Formula	C5H8Br2Cl1O2P1
Molecular Weight	323.83
AlogP	3.28
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	18.46
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C5H8Br2Cl1O2P1

Molecular Weight

323.83

AlogP

3.28

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

18.46

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	38578-24-4
NORMAN SUSDAT
FDA SRS	6V2JS8YEB9
PubChem	170077
ChemSpider	148721.0

Resources

Reference

CAS NUMBER

38578-24-4

NORMAN SUSDAT

FDA SRS

6V2JS8YEB9

PubChem

170077

ChemSpider

148721.0

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

1,3,2-DIOXAPHOSPHORINANE, 5,5-BIS(BROMOMETHYL)-2-CHLORO-

Structure

Physicochemical Descriptors

Cross References