CID 71445231

AlBaCaOScW — CID 71445231

IUPAC—
SMILESO=[W].[Al].[Ba].[Ca].[Sc]
InChIInChI=1S/Al.Ba.Ca.O.Sc.W
InChIKeyHDPYEZOMMZUNBV-UHFFFAOYSA-N
MW449.18 g/mol
LogP-1.27
Rot. Bonds

About CID 71445231

CID 71445231 (PubChem CID 71445231) has the molecular formula AlBaCaOScW and a molecular weight of 449.18 g/mol.

Molecular Properties

Compound NameCID 71445231
PubChem CID71445231
Molecular FormulaAlBaCaOScW
Molecular Weight449.18 g/mol
Exact Mass449.75
IUPAC Name—
SMILESO=[W].[Al].[Ba].[Ca].[Sc]
InChIInChI=1S/Al.Ba.Ca.O.Sc.W
InChIKeyHDPYEZOMMZUNBV-UHFFFAOYSA-N
XLogP-1.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 71445231?
The IUPAC name of CID 71445231 (CID 71445231) is not available.
What is the SMILES notation for CID 71445231?
The canonical SMILES for CID 71445231 is O=[W].[Al].[Ba].[Ca].[Sc].
What is the InChIKey of CID 71445231?
The InChIKey is HDPYEZOMMZUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ba.Ca.O.Sc.W.
What are the key properties of CID 71445231?
CID 71445231 has a molecular weight of 449.18 g/mol, XLogP of -1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71445231 is sourced from PubChem (CID 71445231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).