About nitrate
nitrate (PubChem CID 943) has the molecular formula NO3-
and a molecular weight of 62.00 g/mol. Its IUPAC name is nitrate.
Molecular Properties
| Compound Name | nitrate |
|---|
| PubChem CID | 943 |
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| Molecular Formula | NO3- |
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| Molecular Weight | 62.00 g/mol |
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| Exact Mass | 61.99 |
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| IUPAC Name | nitrate |
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| SMILES | O=[N+]([O-])[O-] |
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| InChI | InChI=1S/NO3/c2-1(3)4/q-1 |
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| InChIKey | NHNBFGGVMKEFGY-UHFFFAOYSA-N |
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| XLogP | -0.24 |
|---|
| TPSA | 66.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 4 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 62.00 |
| LogP ≤ 5 | -0.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of nitrate?
The IUPAC name of nitrate (CID 943) is nitrate.
What is the SMILES notation for nitrate?
The canonical SMILES for nitrate is O=[N+]([O-])[O-].
What is the InChIKey of nitrate?
The InChIKey is NHNBFGGVMKEFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/NO3/c2-1(3)4/q-1.
What are the key properties of nitrate?
nitrate has a molecular weight of 62.00 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrate is sourced from PubChem (CID 943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).