EcoDrugPlus


Keyword(s):	Plastic additives ; Human Neurotoxin ; Food Contact Chemicals
Molecule Category	Salt-form
UNII	MDC5SW56XC
EPA CompTox	DTXSID8049200

Keyword(s):

Plastic additives ; Human Neurotoxin ; Food Contact Chemicals

Molecule Category

Salt-form

UNII

MDC5SW56XC

EPA CompTox

DTXSID8049200


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	IWOUKMZUPDVPGQ-UHFFFAOYSA-N
Smiles	[Ba++].[O-][N+]([O-])=O.[O-][N+]([O-])=O
InChI	InChI=1S/Ba.2NO3/c;22-1(3)4/q+2;2-1

InChI Key

IWOUKMZUPDVPGQ-UHFFFAOYSA-N

Smiles

[Ba++].[O-][N+]([O-])=O.[O-][N+]([O-])=O

InChI

InChI=1S/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1

Property Name	Value
Molecular Formula	BaN2O6
Molecular Weight	261.88
AlogP	-0.86
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	132.4
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

BaN2O6

Molecular Weight

261.88

AlogP

-0.86

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

132.4

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	10022-31-8
NORMAN SUSDAT
FDA SRS	MDC5SW56XC

Resources

Reference

CAS NUMBER

10022-31-8

NORMAN SUSDAT

FDA SRS

MDC5SW56XC


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).

BARIUM NITRATE

Structure

Physicochemical Descriptors

Cross References