About CID 173207864
CID 173207864 (PubChem CID 173207864) has the molecular formula H5BaCaClO4
and a molecular weight of 281.89 g/mol.
Molecular Properties
| Compound Name | CID 173207864 |
|---|
| PubChem CID | 173207864 |
|---|
| Molecular Formula | H5BaCaClO4 |
|---|
| Molecular Weight | 281.89 g/mol |
|---|
| Exact Mass | 281.86 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[O-][Cl+3]([O-])([O-])O |
|---|
| InChI | InChI=1S/Ba.Ca.ClHO4.4H/c;;2-1(3,4)5;;;;/h;;(H,2,3,4,5);;;;/q2*+2;;4*-1 |
|---|
| InChIKey | MXCKSKVDCQFJHI-UHFFFAOYSA-N |
|---|
| XLogP | -4.44 |
|---|
| TPSA | 89.41 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 7 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 281.89 |
| LogP ≤ 5 | -4.44 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of CID 173207864?
The IUPAC name of CID 173207864 (CID 173207864) is not available.
What is the SMILES notation for CID 173207864?
The canonical SMILES for CID 173207864 is [Ba+2].[Ca+2].[H-].[H-].[H-].[H-].[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 173207864?
The InChIKey is MXCKSKVDCQFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.ClHO4.4H/c;;2-1(3,4)5;;;;/h;;(H,2,3,4,5);;;;/q2*+2;;4*-1.
What are the key properties of CID 173207864?
CID 173207864 has a molecular weight of 281.89 g/mol, XLogP of -4.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173207864 is sourced from PubChem (CID 173207864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).