Trigastronol

C7H6BiO4 — CID 16682734

IUPAC—
SMILESO.O=C1O[Bi]Oc2ccccc21
InChIInChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+2;/p-2
InChIKeyQBWLKDFBINPHFT-UHFFFAOYSA-L
MW363.10 g/mol
LogP-0.05
Rot. Bonds

About Trigastronol

Trigastronol (PubChem CID 16682734) has the molecular formula C7H6BiO4 and a molecular weight of 363.10 g/mol.

Molecular Properties

Compound NameTrigastronol
PubChem CID16682734
Molecular FormulaC7H6BiO4
Molecular Weight363.10 g/mol
Exact Mass363.01
IUPAC Name—
SMILESO.O=C1O[Bi]Oc2ccccc21
InChIInChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+2;/p-2
InChIKeyQBWLKDFBINPHFT-UHFFFAOYSA-L
XLogP-0.05
TPSA67.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Salicylic Acid
CID 338
2,5-Dihydroxybenzoic acid
CID 3469
Sodium Salicylate
CID 16760658
Salicylate
CID 54675850
Fosfosal
CID 3418
2,6-Dihydroxybenzoic Acid
CID 9338
Bismuth Subsalicylate
CID 53629521
(T-4)-Bis(2-(hydroxy-kappaO)benzoato-kappaO)magnesium
CID 54684589
Potassium Salicylate
CID 23664627
3,5-Diiodosalicylic acid
CID 8631
Zinc Salicylate
CID 54693468
2,5-Dihydroxybenzoate
CID 54675839

Frequently Asked Questions

What is the IUPAC name of Trigastronol?
The IUPAC name of Trigastronol (CID 16682734) is not available.
What is the SMILES notation for Trigastronol?
The canonical SMILES for Trigastronol is O.O=C1O[Bi]Oc2ccccc21.
What is the InChIKey of Trigastronol?
The InChIKey is QBWLKDFBINPHFT-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+2;/p-2.
What are the key properties of Trigastronol?
Trigastronol has a molecular weight of 363.10 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Trigastronol is sourced from PubChem (CID 16682734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).