Mebiquine

C10H12BiNO3 — CID 16683098

IUPAC
SMILESCc1cc(O[Bi])c2ncccc2c1.O.O
InChIInChI=1S/C10H9NO.Bi.2H2O/c1-7-5-8-3-2-4-11-10(8)9(12)6-7;;;/h2-6,12H,1H3;;2*1H2/q;+1;;/p-1
InChIKeyWYMIHTNPHXUBJE-UHFFFAOYSA-M
MW403.19 g/mol
LogP0.36
Rot. Bonds1

About Mebiquine

Mebiquine (PubChem CID 16683098) has the molecular formula C10H12BiNO3 and a molecular weight of 403.19 g/mol.

Molecular Properties

Compound NameMebiquine
PubChem CID16683098
Molecular FormulaC10H12BiNO3
Molecular Weight403.19 g/mol
Exact Mass403.06
IUPAC Name
SMILESCc1cc(O[Bi])c2ncccc2c1.O.O
InChIInChI=1S/C10H9NO.Bi.2H2O/c1-7-5-8-3-2-4-11-10(8)9(12)6-7;;;/h2-6,12H,1H3;;2*1H2/q;+1;;/p-1
InChIKeyWYMIHTNPHXUBJE-UHFFFAOYSA-M
XLogP0.36
TPSA85.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Mebiquine?
The IUPAC name of Mebiquine (CID 16683098) is not available.
What is the SMILES notation for Mebiquine?
The canonical SMILES for Mebiquine is Cc1cc(O[Bi])c2ncccc2c1.O.O.
What is the InChIKey of Mebiquine?
The InChIKey is WYMIHTNPHXUBJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO.Bi.2H2O/c1-7-5-8-3-2-4-11-10(8)9(12)6-7;;;/h2-6,12H,1H3;;2*1H2/q;+1;;/p-1.
What are the key properties of Mebiquine?
Mebiquine has a molecular weight of 403.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Mebiquine is sourced from PubChem (CID 16683098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).