EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID80721625

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID80721625


InChI Key	JCEMSQWGBZLEDB-UHFFFAOYSA-N
Smiles	ClCCCCOC(=O)OOC(=O)OCCCCCl
InChI	InChI=1S/C10H16Cl2O6/c11-5-1-3-7-15-9(13)17-18-10(14)16-8-4-2-6-12/h1-8H2

InChI Key

JCEMSQWGBZLEDB-UHFFFAOYSA-N

Smiles

ClCCCCOC(=O)OOC(=O)OCCCCCl

InChI

InChI=1S/C10H16Cl2O6/c11-5-1-3-7-15-9(13)17-18-10(14)16-8-4-2-6-12/h1-8H2

Property Name	Value
Molecular Formula	C10H16Cl2O6
Molecular Weight	302.03
AlogP	3.25
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	8.0
Polar Surface Area	71.06
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H16Cl2O6

Molecular Weight

302.03

AlogP

3.25

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

8.0

Polar Surface Area

71.06

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	14245-74-0
NORMAN SUSDAT
PubChem	57348371

Resources

Reference

CAS NUMBER

14245-74-0

NORMAN SUSDAT

PubChem

57348371


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

BIS(4-CHLOROBUTYL) PEROXYDICARBONATE

Structure

Physicochemical Descriptors

Cross References