About azanide;cobalt(3+);triperchlorate;hydrate
azanide;cobalt(3+);triperchlorate;hydrate (PubChem CID 131873223) has the molecular formula H12Cl3CoN5O13-5
and a molecular weight of 455.41 g/mol. Its IUPAC name is azanide;cobalt(3+);triperchlorate;hydrate.
Molecular Properties
| Compound Name | azanide;cobalt(3+);triperchlorate;hydrate |
|---|
| PubChem CID | 131873223 |
|---|
| Molecular Formula | H12Cl3CoN5O13-5 |
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| Molecular Weight | 455.41 g/mol |
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| Exact Mass | 453.89 |
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| IUPAC Name | azanide;cobalt(3+);triperchlorate;hydrate |
|---|
| SMILES | O.[Co+3].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-] |
|---|
| InChI | InChI=1S/3ClHO4.Co.5H2N.H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H2/q;;;+3;5*-1;/p-3 |
|---|
| InChIKey | CJPVAAAXNNUVAC-UHFFFAOYSA-K |
|---|
| XLogP | -11.51 |
|---|
| TPSA | 475.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | |
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| Heavy Atoms | 22 |
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| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 455.41 |
| LogP ≤ 5 | -11.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
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Frequently Asked Questions
What is the IUPAC name of azanide;cobalt(3+);triperchlorate;hydrate?
The IUPAC name of azanide;cobalt(3+);triperchlorate;hydrate (CID 131873223) is azanide;cobalt(3+);triperchlorate;hydrate.
What is the SMILES notation for azanide;cobalt(3+);triperchlorate;hydrate?
The canonical SMILES for azanide;cobalt(3+);triperchlorate;hydrate is O.[Co+3].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of azanide;cobalt(3+);triperchlorate;hydrate?
The InChIKey is CJPVAAAXNNUVAC-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClHO4.Co.5H2N.H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H2/q;;;+3;5*-1;/p-3.
What are the key properties of azanide;cobalt(3+);triperchlorate;hydrate?
azanide;cobalt(3+);triperchlorate;hydrate has a molecular weight of 455.41 g/mol, XLogP of -11.51, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;cobalt(3+);triperchlorate;hydrate is sourced from PubChem (CID 131873223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).