CID 71398296

C25H24O2Sb — CID 71398296

IUPAC—
SMILESCOc1ccc([Sb](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O
InChIInChI=1S/C7H7O.3C6H5.H2O.Sb/c1-8-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;;/h3-6H,1H3;3*1-5H;1H2;
InChIKeyJWCLXOCBBDOLKT-UHFFFAOYSA-N
MW478.23 g/mol
LogP2.25
Rot. Bonds5

About CID 71398296

CID 71398296 (PubChem CID 71398296) has the molecular formula C25H24O2Sb and a molecular weight of 478.23 g/mol.

Molecular Properties

Compound NameCID 71398296
PubChem CID71398296
Molecular FormulaC25H24O2Sb
Molecular Weight478.23 g/mol
Exact Mass477.08
IUPAC Name—
SMILESCOc1ccc([Sb](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O
InChIInChI=1S/C7H7O.3C6H5.H2O.Sb/c1-8-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;;/h3-6H,1H3;3*1-5H;1H2;
InChIKeyJWCLXOCBBDOLKT-UHFFFAOYSA-N
XLogP2.25
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.23
LogP ≤ 52.25
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 71398296?
The IUPAC name of CID 71398296 (CID 71398296) is not available.
What is the SMILES notation for CID 71398296?
The canonical SMILES for CID 71398296 is COc1ccc([Sb](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O.
What is the InChIKey of CID 71398296?
The InChIKey is JWCLXOCBBDOLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.3C6H5.H2O.Sb/c1-8-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;;/h3-6H,1H3;3*1-5H;1H2;.
What are the key properties of CID 71398296?
CID 71398296 has a molecular weight of 478.23 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71398296 is sourced from PubChem (CID 71398296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).