barium(2+);dibromide;hydrate

H2BaBr2O — CID 45051710

IUPACbarium(2+);dibromide;hydrate
SMILESO.[Ba+2].[Br-].[Br-]
InChIInChI=1S/Ba.2BrH.H2O/h;2*1H;1H2/q+2;;;/p-2
InChIKeyWSCKZUIUXCMLPM-UHFFFAOYSA-L
MW315.15 g/mol
LogP-7.20
Rot. Bonds

About barium(2+);dibromide;hydrate

barium(2+);dibromide;hydrate (PubChem CID 45051710) has the molecular formula H2BaBr2O and a molecular weight of 315.15 g/mol. Its IUPAC name is barium(2+);dibromide;hydrate.

Molecular Properties

Compound Namebarium(2+);dibromide;hydrate
PubChem CID45051710
Molecular FormulaH2BaBr2O
Molecular Weight315.15 g/mol
Exact Mass313.75
IUPAC Namebarium(2+);dibromide;hydrate
SMILESO.[Ba+2].[Br-].[Br-]
InChIInChI=1S/Ba.2BrH.H2O/h;2*1H;1H2/q+2;;;/p-2
InChIKeyWSCKZUIUXCMLPM-UHFFFAOYSA-L
XLogP-7.20
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 5-7.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze barium(2+);dibromide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

barium(2+);dibromide;tetrahydrate
CID 175768263
barium(2+) tribromide
CID 175750450
tris(barium(2+));hexabromide
CID 172712457
beryllium;dibromide;dihydrate
CID 175768022
iron(2+);dibromide;hexahydrate
CID 139035144
indium(3+);tribromide;hydrate
CID 158557811
tungsten(2+);dibromide;dihydrate
CID 101282775
strontium;dibromide;hydrate
CID 139046166
potassium;barium(2+);tribromide
CID 159262812
magnesium;bromide;hexahydrate
CID 22241987
erbium(3+);tribromide;hydrate
CID 71317330
barium(2+);sulfide;hydrate
CID 173457615

Frequently Asked Questions

What is the IUPAC name of barium(2+);dibromide;hydrate?
The IUPAC name of barium(2+);dibromide;hydrate (CID 45051710) is barium(2+);dibromide;hydrate.
What is the SMILES notation for barium(2+);dibromide;hydrate?
The canonical SMILES for barium(2+);dibromide;hydrate is O.[Ba+2].[Br-].[Br-].
What is the InChIKey of barium(2+);dibromide;hydrate?
The InChIKey is WSCKZUIUXCMLPM-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.2BrH.H2O/h;2*1H;1H2/q+2;;;/p-2.
What are the key properties of barium(2+);dibromide;hydrate?
barium(2+);dibromide;hydrate has a molecular weight of 315.15 g/mol, XLogP of -7.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);dibromide;hydrate is sourced from PubChem (CID 45051710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).