CID 173389191

C6H8BaOSb — CID 173389191

IUPAC—
SMILESOc1ccccc1.[Ba+2].[H-].[H-].[Sb]
InChIInChI=1S/C6H6O.Ba.Sb.2H/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;;;/q;+2;;2*-1
InChIKeyAGTOTKVDQGHGIR-UHFFFAOYSA-N
MW355.22 g/mol
LogP0.86
Rot. Bonds

About CID 173389191

CID 173389191 (PubChem CID 173389191) has the molecular formula C6H8BaOSb and a molecular weight of 355.22 g/mol.

Molecular Properties

Compound NameCID 173389191
PubChem CID173389191
Molecular FormulaC6H8BaOSb
Molecular Weight355.22 g/mol
Exact Mass354.87
IUPAC Name—
SMILESOc1ccccc1.[Ba+2].[H-].[H-].[Sb]
InChIInChI=1S/C6H6O.Ba.Sb.2H/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;;;/q;+2;;2*-1
InChIKeyAGTOTKVDQGHGIR-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173389191?
The IUPAC name of CID 173389191 (CID 173389191) is not available.
What is the SMILES notation for CID 173389191?
The canonical SMILES for CID 173389191 is Oc1ccccc1.[Ba+2].[H-].[H-].[Sb].
What is the InChIKey of CID 173389191?
The InChIKey is AGTOTKVDQGHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.Ba.Sb.2H/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;;;/q;+2;;2*-1.
What are the key properties of CID 173389191?
CID 173389191 has a molecular weight of 355.22 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173389191 is sourced from PubChem (CID 173389191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).