Diphenylthallanyl--water (1/1)

C12H12OTl — CID 14639556

IUPAC—
SMILESO.c1ccc([Tl]c2ccccc2)cc1
InChIInChI=1S/2C6H5.H2O.Tl/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H2;
InChIKeyWJJUZUUYPTWARC-UHFFFAOYSA-N
MW376.61 g/mol
LogP0.52
Rot. Bonds2

About Diphenylthallanyl--water (1/1)

Diphenylthallanyl--water (1/1) (PubChem CID 14639556) has the molecular formula C12H12OTl and a molecular weight of 376.61 g/mol.

Molecular Properties

Compound NameDiphenylthallanyl--water (1/1)
PubChem CID14639556
Molecular FormulaC12H12OTl
Molecular Weight376.61 g/mol
Exact Mass377.06
IUPAC Name—
SMILESO.c1ccc([Tl]c2ccccc2)cc1
InChIInChI=1S/2C6H5.H2O.Tl/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H2;
InChIKeyWJJUZUUYPTWARC-UHFFFAOYSA-N
XLogP0.52
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Diphenylthallanyl--water (1/1)?
The IUPAC name of Diphenylthallanyl--water (1/1) (CID 14639556) is not available.
What is the SMILES notation for Diphenylthallanyl--water (1/1)?
The canonical SMILES for Diphenylthallanyl--water (1/1) is O.c1ccc([Tl]c2ccccc2)cc1.
What is the InChIKey of Diphenylthallanyl--water (1/1)?
The InChIKey is WJJUZUUYPTWARC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.H2O.Tl/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H2;.
What are the key properties of Diphenylthallanyl--water (1/1)?
Diphenylthallanyl--water (1/1) has a molecular weight of 376.61 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Diphenylthallanyl--water (1/1) is sourced from PubChem (CID 14639556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).