About CID 131846941
CID 131846941 (PubChem CID 131846941) has the molecular formula H14Cl2MgO14
and a molecular weight of 333.31 g/mol.
Molecular Properties
| Compound Name | CID 131846941 |
|---|
| PubChem CID | 131846941 |
|---|
| Molecular Formula | H14Cl2MgO14 |
|---|
| Molecular Weight | 333.31 g/mol |
|---|
| Exact Mass | 331.96 |
|---|
| IUPAC Name | — |
|---|
| SMILES | O.O.O.O.O.O.[Mg].[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O |
|---|
| InChI | InChI=1S/2ClHO4.Mg.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2 |
|---|
| InChIKey | BIJODWABHGPSHP-UHFFFAOYSA-N |
|---|
| XLogP | -13.58 |
|---|
| TPSA | 367.82 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 17 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 333.31 |
| LogP ≤ 5 | -13.58 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of CID 131846941?
The IUPAC name of CID 131846941 (CID 131846941) is not available.
What is the SMILES notation for CID 131846941?
The canonical SMILES for CID 131846941 is O.O.O.O.O.O.[Mg].[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 131846941?
The InChIKey is BIJODWABHGPSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClHO4.Mg.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2.
What are the key properties of CID 131846941?
CID 131846941 has a molecular weight of 333.31 g/mol, XLogP of -13.58, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131846941 is sourced from PubChem (CID 131846941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).