CID 134861589

C7H5BiO — CID 134861589

IUPAC—
SMILESO=Cc1cccc([Bi])c1
InChIInChI=1S/C7H5O.Bi/c8-6-7-4-2-1-3-5-7;/h1-2,4-6H;
InChIKeyRCBAZDVEDOJUPE-UHFFFAOYSA-N
MW314.10 g/mol
LogP0.29
Rot. Bonds1

About CID 134861589

CID 134861589 (PubChem CID 134861589) has the molecular formula C7H5BiO and a molecular weight of 314.10 g/mol.

Molecular Properties

Compound NameCID 134861589
PubChem CID134861589
Molecular FormulaC7H5BiO
Molecular Weight314.10 g/mol
Exact Mass314.01
IUPAC Name—
SMILESO=Cc1cccc([Bi])c1
InChIInChI=1S/C7H5O.Bi/c8-6-7-4-2-1-3-5-7;/h1-2,4-6H;
InChIKeyRCBAZDVEDOJUPE-UHFFFAOYSA-N
XLogP0.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134861589?
The IUPAC name of CID 134861589 (CID 134861589) is not available.
What is the SMILES notation for CID 134861589?
The canonical SMILES for CID 134861589 is O=Cc1cccc([Bi])c1.
What is the InChIKey of CID 134861589?
The InChIKey is RCBAZDVEDOJUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O.Bi/c8-6-7-4-2-1-3-5-7;/h1-2,4-6H;.
What are the key properties of CID 134861589?
CID 134861589 has a molecular weight of 314.10 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134861589 is sourced from PubChem (CID 134861589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).