Guanoxabenz

C₈H₈Cl₂N₄O — CID 5464269

About Guanoxabenz

Guanoxabenz (PubChem CID 5464269) has the molecular formula C₈H₈Cl₂N₄O and a molecular weight of 247.09 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

• Compound Name: Guanoxabenz
• PubChem CID: 5464269
• Molecular Formula: C₈H₈Cl₂N₄O
• Molecular Weight: 247.09 g/mol
• Exact Mass: 246.01
• IUPAC Name: 2-[(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
• SMILES: N/C(=N/N=Cc1c(Cl)cccc1Cl)NO
• InChI: InChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)
• InChIKey: QKIQJNNDIWGVEH-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 83.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.09
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Guanoxabenz?

The IUPAC name of Guanoxabenz (CID 5464269) is 2-[(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine.

What is the SMILES notation for Guanoxabenz?

The canonical SMILES for Guanoxabenz is N/C(=N/N=Cc1c(Cl)cccc1Cl)NO.

What is the InChIKey of Guanoxabenz?

The InChIKey is QKIQJNNDIWGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14).

What are the key properties of Guanoxabenz?

Guanoxabenz has a molecular weight of 247.09 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Guanoxabenz is sourced from PubChem (CID 5464269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5464269 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1345 — approved-drug record (CC BY-SA 4.0)

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