acetyloxy(phenyl)mercury;indigane;oxotin

C8H11HgInO3Sn — CID 174326371

IUPACacetyloxy(phenyl)mercury;indigane;oxotin
SMILESCC(=O)O[Hg]c1ccccc1.O=[Sn].[InH3]
InChIInChI=1S/C6H5.C2H4O2.Hg.In.O.Sn.3H/c1-2-4-6-5-3-1;1-2(3)4;;;;;;;/h1-5H;1H3,(H,3,4);;;;;;;/q;;+1;;;;;;/p-1
InChIKeyAZSSIBXWZARXQC-UHFFFAOYSA-M
MW589.29 g/mol
LogP-0.81
Rot. Bonds2

About acetyloxy(phenyl)mercury;indigane;oxotin

acetyloxy(phenyl)mercury;indigane;oxotin (PubChem CID 174326371) has the molecular formula C8H11HgInO3Sn and a molecular weight of 589.29 g/mol. Its IUPAC name is acetyloxy(phenyl)mercury;indigane;oxotin.

Molecular Properties

Compound Nameacetyloxy(phenyl)mercury;indigane;oxotin
PubChem CID174326371
Molecular FormulaC8H11HgInO3Sn
Molecular Weight589.29 g/mol
Exact Mass591.85
IUPAC Nameacetyloxy(phenyl)mercury;indigane;oxotin
SMILESCC(=O)O[Hg]c1ccccc1.O=[Sn].[InH3]
InChIInChI=1S/C6H5.C2H4O2.Hg.In.O.Sn.3H/c1-2-4-6-5-3-1;1-2(3)4;;;;;;;/h1-5H;1H3,(H,3,4);;;;;;;/q;;+1;;;;;;/p-1
InChIKeyAZSSIBXWZARXQC-UHFFFAOYSA-M
XLogP-0.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetyloxy(phenyl)mercury;indigane;oxotin 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 acetyloxy(phenyl)mercury;indigane;oxotin?
The IUPAC name of acetyloxy(phenyl)mercury;indigane;oxotin (CID 174326371) is acetyloxy(phenyl)mercury;indigane;oxotin.
What is the SMILES notation for acetyloxy(phenyl)mercury;indigane;oxotin?
The canonical SMILES for acetyloxy(phenyl)mercury;indigane;oxotin is CC(=O)O[Hg]c1ccccc1.O=[Sn].[InH3].
What is the InChIKey of acetyloxy(phenyl)mercury;indigane;oxotin?
The InChIKey is AZSSIBXWZARXQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.C2H4O2.Hg.In.O.Sn.3H/c1-2-4-6-5-3-1;1-2(3)4;;;;;;;/h1-5H;1H3,(H,3,4);;;;;;;/q;;+1;;;;;;/p-1.
What are the key properties of acetyloxy(phenyl)mercury;indigane;oxotin?
acetyloxy(phenyl)mercury;indigane;oxotin has a molecular weight of 589.29 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(phenyl)mercury;indigane;oxotin is sourced from PubChem (CID 174326371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).