CID 159135033

BORu — CID 159135033

IUPAC—
SMILES[B]=O.[Ru]
InChIInChI=1S/BO.Ru/c1-2;
InChIKeyKHJOEHPMLOOZNO-UHFFFAOYSA-N
MW127.88 g/mol
LogP-0.50
Rot. Bonds

About CID 159135033

CID 159135033 (PubChem CID 159135033) has the molecular formula BORu and a molecular weight of 127.88 g/mol.

Molecular Properties

Compound NameCID 159135033
PubChem CID159135033
Molecular FormulaBORu
Molecular Weight127.88 g/mol
Exact Mass128.91
IUPAC Name—
SMILES[B]=O.[Ru]
InChIInChI=1S/BO.Ru/c1-2;
InChIKeyKHJOEHPMLOOZNO-UHFFFAOYSA-N
XLogP-0.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.88
LogP ≤ 5-0.50
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 159135033?
The IUPAC name of CID 159135033 (CID 159135033) is not available.
What is the SMILES notation for CID 159135033?
The canonical SMILES for CID 159135033 is [B]=O.[Ru].
What is the InChIKey of CID 159135033?
The InChIKey is KHJOEHPMLOOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/BO.Ru/c1-2;.
What are the key properties of CID 159135033?
CID 159135033 has a molecular weight of 127.88 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159135033 is sourced from PubChem (CID 159135033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).