CID 11039089

C28H38Li3N3OSb — CID 11039089

IUPAC—
SMILESC1CCOC1.[Li+].[Li+].[Li+].[NH-]CCc1ccccc1.[NH-]CCc1ccccc1.[NH-]CCc1ccccc1.[Sb]
InChIInChI=1S/3C8H10N.C4H8O.3Li.Sb/c3*9-7-6-8-4-2-1-3-5-8;1-2-4-5-3-1;;;;/h3*1-5,9H,6-7H2;1-4H2;;;;/q3*-1;;3*+1;
InChIKeyJMEFKEHKUHWJOU-UHFFFAOYSA-N
MW575.22 g/mol
LogP-1.73
Rot. Bonds6

About CID 11039089

CID 11039089 (PubChem CID 11039089) has the molecular formula C28H38Li3N3OSb and a molecular weight of 575.22 g/mol.

Molecular Properties

Compound NameCID 11039089
PubChem CID11039089
Molecular FormulaC28H38Li3N3OSb
Molecular Weight575.22 g/mol
Exact Mass574.25
IUPAC Name—
SMILESC1CCOC1.[Li+].[Li+].[Li+].[NH-]CCc1ccccc1.[NH-]CCc1ccccc1.[NH-]CCc1ccccc1.[Sb]
InChIInChI=1S/3C8H10N.C4H8O.3Li.Sb/c3*9-7-6-8-4-2-1-3-5-8;1-2-4-5-3-1;;;;/h3*1-5,9H,6-7H2;1-4H2;;;;/q3*-1;;3*+1;
InChIKeyJMEFKEHKUHWJOU-UHFFFAOYSA-N
XLogP-1.73
TPSA80.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11039089?
The IUPAC name of CID 11039089 (CID 11039089) is not available.
What is the SMILES notation for CID 11039089?
The canonical SMILES for CID 11039089 is C1CCOC1.[Li+].[Li+].[Li+].[NH-]CCc1ccccc1.[NH-]CCc1ccccc1.[NH-]CCc1ccccc1.[Sb].
What is the InChIKey of CID 11039089?
The InChIKey is JMEFKEHKUHWJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10N.C4H8O.3Li.Sb/c3*9-7-6-8-4-2-1-3-5-8;1-2-4-5-3-1;;;;/h3*1-5,9H,6-7H2;1-4H2;;;;/q3*-1;;3*+1;.
What are the key properties of CID 11039089?
CID 11039089 has a molecular weight of 575.22 g/mol, XLogP of -1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11039089 is sourced from PubChem (CID 11039089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).