oxostibanylium nitrate

NO4Sb — CID 162305947

IUPACoxostibanylium nitrate
SMILESO=[N+]([O-])[O-].O=[Sb+]
InChIInChI=1S/NO3.O.Sb/c2-1(3)4;;/q-1;;+1
InChIKeyVXLCNUFORWAGOA-UHFFFAOYSA-N
MW199.76 g/mol
LogP-0.74
Rot. Bonds

About oxostibanylium nitrate

oxostibanylium nitrate (PubChem CID 162305947) has the molecular formula NO4Sb and a molecular weight of 199.76 g/mol. Its IUPAC name is oxostibanylium nitrate.

Molecular Properties

Compound Nameoxostibanylium nitrate
PubChem CID162305947
Molecular FormulaNO4Sb
Molecular Weight199.76 g/mol
Exact Mass198.89
IUPAC Nameoxostibanylium nitrate
SMILESO=[N+]([O-])[O-].O=[Sb+]
InChIInChI=1S/NO3.O.Sb/c2-1(3)4;;/q-1;;+1
InChIKeyVXLCNUFORWAGOA-UHFFFAOYSA-N
XLogP-0.74
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.76
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 oxostibanylium nitrate?
The IUPAC name of oxostibanylium nitrate (CID 162305947) is oxostibanylium nitrate.
What is the SMILES notation for oxostibanylium nitrate?
The canonical SMILES for oxostibanylium nitrate is O=[N+]([O-])[O-].O=[Sb+].
What is the InChIKey of oxostibanylium nitrate?
The InChIKey is VXLCNUFORWAGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/NO3.O.Sb/c2-1(3)4;;/q-1;;+1.
What are the key properties of oxostibanylium nitrate?
oxostibanylium nitrate has a molecular weight of 199.76 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxostibanylium nitrate is sourced from PubChem (CID 162305947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).