CID 6393025

C6H6ClO2Sb — CID 6393025

IUPAC—
SMILESCl[Sb].Oc1ccccc1O
InChIInChI=1S/C6H6O2.ClH.Sb/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;1H;/q;;+1/p-1
InChIKeyOFZOBDIDDBTWNI-UHFFFAOYSA-M
MW267.33 g/mol
LogP1.41
Rot. Bonds

About CID 6393025

CID 6393025 (PubChem CID 6393025) has the molecular formula C6H6ClO2Sb and a molecular weight of 267.33 g/mol.

Molecular Properties

Compound NameCID 6393025
PubChem CID6393025
Molecular FormulaC6H6ClO2Sb
Molecular Weight267.33 g/mol
Exact Mass265.91
IUPAC Name—
SMILESCl[Sb].Oc1ccccc1O
InChIInChI=1S/C6H6O2.ClH.Sb/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;1H;/q;;+1/p-1
InChIKeyOFZOBDIDDBTWNI-UHFFFAOYSA-M
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6393025?
The IUPAC name of CID 6393025 (CID 6393025) is not available.
What is the SMILES notation for CID 6393025?
The canonical SMILES for CID 6393025 is Cl[Sb].Oc1ccccc1O.
What is the InChIKey of CID 6393025?
The InChIKey is OFZOBDIDDBTWNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2.ClH.Sb/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;1H;/q;;+1/p-1.
What are the key properties of CID 6393025?
CID 6393025 has a molecular weight of 267.33 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6393025 is sourced from PubChem (CID 6393025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).