CID 102090471

C6H4HgNNaO4 — CID 102090471

IUPAC—
SMILESO=[N+]([O-])[C]1C=C=CC=C1[O-].[Hg+].[Na+].[OH-]
InChIInChI=1S/C6H4NO3.Hg.Na.H2O/c8-6-4-2-1-3-5(6)7(9)10;;;/h2-4,8H;;;1H2/q;2*+1;/p-2
InChIKeyMIAKZYMASGBLIS-UHFFFAOYSA-L
MW377.68 g/mol
LogP-3.41
Rot. Bonds1

About CID 102090471

CID 102090471 (PubChem CID 102090471) has the molecular formula C6H4HgNNaO4 and a molecular weight of 377.68 g/mol.

Molecular Properties

Compound NameCID 102090471
PubChem CID102090471
Molecular FormulaC6H4HgNNaO4
Molecular Weight377.68 g/mol
Exact Mass378.97
IUPAC Name—
SMILESO=[N+]([O-])[C]1C=C=CC=C1[O-].[Hg+].[Na+].[OH-]
InChIInChI=1S/C6H4NO3.Hg.Na.H2O/c8-6-4-2-1-3-5(6)7(9)10;;;/h2-4,8H;;;1H2/q;2*+1;/p-2
InChIKeyMIAKZYMASGBLIS-UHFFFAOYSA-L
XLogP-3.41
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.68
LogP ≤ 5-3.41
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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Related Compounds

CID 102167267
CID 102167267

Frequently Asked Questions

What is the IUPAC name of CID 102090471?
The IUPAC name of CID 102090471 (CID 102090471) is not available.
What is the SMILES notation for CID 102090471?
The canonical SMILES for CID 102090471 is O=[N+]([O-])[C]1C=C=CC=C1[O-].[Hg+].[Na+].[OH-].
What is the InChIKey of CID 102090471?
The InChIKey is MIAKZYMASGBLIS-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H4NO3.Hg.Na.H2O/c8-6-4-2-1-3-5(6)7(9)10;;;/h2-4,8H;;;1H2/q;2*+1;/p-2.
What are the key properties of CID 102090471?
CID 102090471 has a molecular weight of 377.68 g/mol, XLogP of -3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102090471 is sourced from PubChem (CID 102090471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).