CID 159267347

B3O — CID 159267347

IUPAC—
SMILES[B].[B].[B]=O
InChIInChI=1S/BO.2B/c1-2;;
InChIKeyKXGSIVCDEFLHKG-UHFFFAOYSA-N
MW48.43 g/mol
LogP-1.26
Rot. Bonds

About CID 159267347

CID 159267347 (PubChem CID 159267347) has the molecular formula B3O and a molecular weight of 48.43 g/mol.

Molecular Properties

Compound NameCID 159267347
PubChem CID159267347
Molecular FormulaB3O
Molecular Weight48.43 g/mol
Exact Mass49.02
IUPAC Name—
SMILES[B].[B].[B]=O
InChIInChI=1S/BO.2B/c1-2;;
InChIKeyKXGSIVCDEFLHKG-UHFFFAOYSA-N
XLogP-1.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50048.43
LogP ≤ 5-1.26
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 159267347?
The IUPAC name of CID 159267347 (CID 159267347) is not available.
What is the SMILES notation for CID 159267347?
The canonical SMILES for CID 159267347 is [B].[B].[B]=O.
What is the InChIKey of CID 159267347?
The InChIKey is KXGSIVCDEFLHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/BO.2B/c1-2;;.
What are the key properties of CID 159267347?
CID 159267347 has a molecular weight of 48.43 g/mol, XLogP of -1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159267347 is sourced from PubChem (CID 159267347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).