CID 101008835

C11H13BrHgO — CID 101008835

IUPAC—
SMILES[Br-].[CH2]C(/C=C/CO)c1ccccc1.[Hg+]
InChIInChI=1S/C11H13O.BrH.Hg/c1-10(6-5-9-12)11-7-3-2-4-8-11;;/h2-8,10,12H,1,9H2;1H;/q;;+1/p-1/b6-5+;;
InChIKeyZUKBVEBCSAZCSI-TXOOBNKBSA-M
MW441.72 g/mol
LogP-0.85
Rot. Bonds3

About CID 101008835

CID 101008835 (PubChem CID 101008835) has the molecular formula C11H13BrHgO and a molecular weight of 441.72 g/mol.

Molecular Properties

Compound NameCID 101008835
PubChem CID101008835
Molecular FormulaC11H13BrHgO
Molecular Weight441.72 g/mol
Exact Mass441.99
IUPAC Name—
SMILES[Br-].[CH2]C(/C=C/CO)c1ccccc1.[Hg+]
InChIInChI=1S/C11H13O.BrH.Hg/c1-10(6-5-9-12)11-7-3-2-4-8-11;;/h2-8,10,12H,1,9H2;1H;/q;;+1/p-1/b6-5+;;
InChIKeyZUKBVEBCSAZCSI-TXOOBNKBSA-M
XLogP-0.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.72
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 101008835?
The IUPAC name of CID 101008835 (CID 101008835) is not available.
What is the SMILES notation for CID 101008835?
The canonical SMILES for CID 101008835 is [Br-].[CH2]C(/C=C/CO)c1ccccc1.[Hg+].
What is the InChIKey of CID 101008835?
The InChIKey is ZUKBVEBCSAZCSI-TXOOBNKBSA-M. The full InChI is InChI=1S/C11H13O.BrH.Hg/c1-10(6-5-9-12)11-7-3-2-4-8-11;;/h2-8,10,12H,1,9H2;1H;/q;;+1/p-1/b6-5+;;.
What are the key properties of CID 101008835?
CID 101008835 has a molecular weight of 441.72 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101008835 is sourced from PubChem (CID 101008835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).