azane;ethanol;mercury;phenyl acetate

C10H17HgNO3 — CID 70517650

IUPACazane;ethanol;mercury;phenyl acetate
SMILESCC(=O)Oc1ccccc1.CCO.N.[Hg]
InChIInChI=1S/C8H8O2.C2H6O.Hg.H3N/c1-7(9)10-8-5-3-2-4-6-8;1-2-3;;/h2-6H,1H3;3H,2H2,1H3;;1H3
InChIKeyQISZHFNXZFOFQN-UHFFFAOYSA-N
MW399.84 g/mol
LogP1.77
Rot. Bonds1

About azane;ethanol;mercury;phenyl acetate

azane;ethanol;mercury;phenyl acetate (PubChem CID 70517650) has the molecular formula C10H17HgNO3 and a molecular weight of 399.84 g/mol. Its IUPAC name is azane;ethanol;mercury;phenyl acetate.

Molecular Properties

Compound Nameazane;ethanol;mercury;phenyl acetate
PubChem CID70517650
Molecular FormulaC10H17HgNO3
Molecular Weight399.84 g/mol
Exact Mass401.09
IUPAC Nameazane;ethanol;mercury;phenyl acetate
SMILESCC(=O)Oc1ccccc1.CCO.N.[Hg]
InChIInChI=1S/C8H8O2.C2H6O.Hg.H3N/c1-7(9)10-8-5-3-2-4-6-8;1-2-3;;/h2-6H,1H3;3H,2H2,1H3;;1H3
InChIKeyQISZHFNXZFOFQN-UHFFFAOYSA-N
XLogP1.77
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;ethanol;mercury;phenyl acetate?
The IUPAC name of azane;ethanol;mercury;phenyl acetate (CID 70517650) is azane;ethanol;mercury;phenyl acetate.
What is the SMILES notation for azane;ethanol;mercury;phenyl acetate?
The canonical SMILES for azane;ethanol;mercury;phenyl acetate is CC(=O)Oc1ccccc1.CCO.N.[Hg].
What is the InChIKey of azane;ethanol;mercury;phenyl acetate?
The InChIKey is QISZHFNXZFOFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C2H6O.Hg.H3N/c1-7(9)10-8-5-3-2-4-6-8;1-2-3;;/h2-6H,1H3;3H,2H2,1H3;;1H3.
What are the key properties of azane;ethanol;mercury;phenyl acetate?
azane;ethanol;mercury;phenyl acetate has a molecular weight of 399.84 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;mercury;phenyl acetate is sourced from PubChem (CID 70517650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).