CID 18972241

H4BaCaO4PbTi — CID 18972241

IUPAC—
SMILES[Ba+2].[Ca+2].[OH-].[OH-].[OH-].[OH-].[Pb].[Ti]
InChIInChI=1S/Ba.Ca.4H2O.Pb.Ti/h;;4*1H2;;/q2*+2;;;;;;/p-4
InChIKeyPZZPXMHWTJRMLX-UHFFFAOYSA-J
MW500.50 g/mol
LogP-1.85
Rot. Bonds

About CID 18972241

CID 18972241 (PubChem CID 18972241) has the molecular formula H4BaCaO4PbTi and a molecular weight of 500.50 g/mol.

Molecular Properties

Compound NameCID 18972241
PubChem CID18972241
Molecular FormulaH4BaCaO4PbTi
Molecular Weight500.50 g/mol
Exact Mass501.80
IUPAC Name—
SMILES[Ba+2].[Ca+2].[OH-].[OH-].[OH-].[OH-].[Pb].[Ti]
InChIInChI=1S/Ba.Ca.4H2O.Pb.Ti/h;;4*1H2;;/q2*+2;;;;;;/p-4
InChIKeyPZZPXMHWTJRMLX-UHFFFAOYSA-J
XLogP-1.85
TPSA120.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 18972241?
The IUPAC name of CID 18972241 (CID 18972241) is not available.
What is the SMILES notation for CID 18972241?
The canonical SMILES for CID 18972241 is [Ba+2].[Ca+2].[OH-].[OH-].[OH-].[OH-].[Pb].[Ti].
What is the InChIKey of CID 18972241?
The InChIKey is PZZPXMHWTJRMLX-UHFFFAOYSA-J. The full InChI is InChI=1S/Ba.Ca.4H2O.Pb.Ti/h;;4*1H2;;/q2*+2;;;;;;/p-4.
What are the key properties of CID 18972241?
CID 18972241 has a molecular weight of 500.50 g/mol, XLogP of -1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18972241 is sourced from PubChem (CID 18972241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).