Milibis

C₈H₉AsBiNO₆ — CID 16682839

About Milibis

Milibis (PubChem CID 16682839) has the molecular formula C₈H₉AsBiNO₆ and a molecular weight of 499.06 g/mol. Its IUPAC name is [4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid.

Molecular Properties

• Compound Name: Milibis
• PubChem CID: 16682839
• Molecular Formula: C₈H₉AsBiNO₆
• Molecular Weight: 499.06 g/mol
• Exact Mass: 498.94
• IUPAC Name: [4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid
• SMILES: O=[Bi]O[As](=O)(O)c1ccc(NC(=O)CO)cc1
• InChI: InChI=1S/C8H10AsNO5.Bi.O/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);;/q;+1;/p-1
• InChIKey: FATAHBJTOKXSDH-UHFFFAOYSA-M
• XLogP: -1.83
• TPSA: 112.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.06
LogP ≤ 5	-1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Milibis?

The IUPAC name of Milibis (CID 16682839) is [4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid.

What is the SMILES notation for Milibis?

The canonical SMILES for Milibis is O=[Bi]O[As](=O)(O)c1ccc(NC(=O)CO)cc1.

What is the InChIKey of Milibis?

The InChIKey is FATAHBJTOKXSDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10AsNO5.Bi.O/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);;/q;+1;/p-1.

What are the key properties of Milibis?

Milibis has a molecular weight of 499.06 g/mol, XLogP of -1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Milibis is sourced from PubChem (CID 16682839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16682839 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4849 — approved-drug record (CC BY-SA 4.0)

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