boron;calcium

BCa — CID 159765674

IUPACboron;calcium
SMILES[B].[Ca]
InChIInChI=1S/B.Ca
InChIKeyGTUNMKRGRHOANR-UHFFFAOYSA-N
MW50.89 g/mol
LogP-0.76
Rot. Bonds

About boron;calcium

boron;calcium (PubChem CID 159765674) has the molecular formula BCa and a molecular weight of 50.89 g/mol. Its IUPAC name is boron;calcium.

Molecular Properties

Compound Nameboron;calcium
PubChem CID159765674
Molecular FormulaBCa
Molecular Weight50.89 g/mol
Exact Mass50.97
IUPAC Nameboron;calcium
SMILES[B].[Ca]
InChIInChI=1S/B.Ca
InChIKeyGTUNMKRGRHOANR-UHFFFAOYSA-N
XLogP-0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50050.89
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 boron;calcium?
The IUPAC name of boron;calcium (CID 159765674) is boron;calcium.
What is the SMILES notation for boron;calcium?
The canonical SMILES for boron;calcium is [B].[Ca].
What is the InChIKey of boron;calcium?
The InChIKey is GTUNMKRGRHOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ca.
What are the key properties of boron;calcium?
boron;calcium has a molecular weight of 50.89 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for boron;calcium is sourced from PubChem (CID 159765674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).