CID 56846569

H4BaCl2O — CID 56846569

IUPAC—
SMILESCl.Cl.O.[Ba]
InChIInChI=1S/Ba.2ClH.H2O/h;2*1H;1H2
InChIKeyCGWQWWFYMPTYEE-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.36
Rot. Bonds

About CID 56846569

CID 56846569 (PubChem CID 56846569) has the molecular formula H4BaCl2O and a molecular weight of 228.27 g/mol.

Molecular Properties

Compound NameCID 56846569
PubChem CID56846569
Molecular FormulaH4BaCl2O
Molecular Weight228.27 g/mol
Exact Mass227.87
IUPAC Name—
SMILESCl.Cl.O.[Ba]
InChIInChI=1S/Ba.2ClH.H2O/h;2*1H;1H2
InChIKeyCGWQWWFYMPTYEE-UHFFFAOYSA-N
XLogP-0.36
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 56846569?
The IUPAC name of CID 56846569 (CID 56846569) is not available.
What is the SMILES notation for CID 56846569?
The canonical SMILES for CID 56846569 is Cl.Cl.O.[Ba].
What is the InChIKey of CID 56846569?
The InChIKey is CGWQWWFYMPTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.2ClH.H2O/h;2*1H;1H2.
What are the key properties of CID 56846569?
CID 56846569 has a molecular weight of 228.27 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56846569 is sourced from PubChem (CID 56846569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).