CID 174700848

HBCuO — CID 174700848

IUPAC—
SMILES[B]O.[Cu]
InChIInChI=1S/BHO.Cu/c1-2;/h2H;
InChIKeyPLEVXZPFUYRYOU-UHFFFAOYSA-N
MW91.36 g/mol
LogP-0.94
Rot. Bonds

About CID 174700848

CID 174700848 (PubChem CID 174700848) has the molecular formula HBCuO and a molecular weight of 91.36 g/mol.

Molecular Properties

Compound NameCID 174700848
PubChem CID174700848
Molecular FormulaHBCuO
Molecular Weight91.36 g/mol
Exact Mass90.94
IUPAC Name—
SMILES[B]O.[Cu]
InChIInChI=1S/BHO.Cu/c1-2;/h2H;
InChIKeyPLEVXZPFUYRYOU-UHFFFAOYSA-N
XLogP-0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.36
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
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 174700848?
The IUPAC name of CID 174700848 (CID 174700848) is not available.
What is the SMILES notation for CID 174700848?
The canonical SMILES for CID 174700848 is [B]O.[Cu].
What is the InChIKey of CID 174700848?
The InChIKey is PLEVXZPFUYRYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/BHO.Cu/c1-2;/h2H;.
What are the key properties of CID 174700848?
CID 174700848 has a molecular weight of 91.36 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174700848 is sourced from PubChem (CID 174700848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).