About nickel;trihydrate
nickel;trihydrate (PubChem CID 139245854) has the molecular formula H6Ni3O3
and a molecular weight of 230.12 g/mol. Its IUPAC name is nickel;trihydrate.
Molecular Properties
| Compound Name | nickel;trihydrate |
| PubChem CID | 139245854 |
| Molecular Formula | H6Ni3O3 |
| Molecular Weight | 230.12 g/mol |
| Exact Mass | 227.84 |
| IUPAC Name | nickel;trihydrate |
| SMILES | O.O.O.[Ni].[Ni].[Ni] |
| InChI | InChI=1S/3Ni.3H2O/h;;;3*1H2 |
| InChIKey | WBSLSHYMOAVOBR-UHFFFAOYSA-N |
| XLogP | -2.48 |
| TPSA | 94.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 6 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 230.12 |
| LogP ≤ 5 | -2.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze nickel;trihydrate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of nickel;trihydrate?
The IUPAC name of nickel;trihydrate (CID 139245854) is nickel;trihydrate.
What is the SMILES notation for nickel;trihydrate?
The canonical SMILES for nickel;trihydrate is O.O.O.[Ni].[Ni].[Ni].
What is the InChIKey of nickel;trihydrate?
The InChIKey is WBSLSHYMOAVOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ni.3H2O/h;;;3*1H2.
What are the key properties of nickel;trihydrate?
nickel;trihydrate has a molecular weight of 230.12 g/mol, XLogP of -2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;trihydrate is sourced from PubChem (CID 139245854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).