CID 172803282

BCaK — CID 172803282

IUPAC—
SMILES[B].[Ca].[K]
InChIInChI=1S/B.Ca.K
InChIKeyRDVAVHBQTGGJMV-UHFFFAOYSA-N
MW89.99 g/mol
LogP-1.14
Rot. Bonds

About CID 172803282

CID 172803282 (PubChem CID 172803282) has the molecular formula BCaK and a molecular weight of 89.99 g/mol.

Molecular Properties

Compound NameCID 172803282
PubChem CID172803282
Molecular FormulaBCaK
Molecular Weight89.99 g/mol
Exact Mass89.94
IUPAC Name—
SMILES[B].[Ca].[K]
InChIInChI=1S/B.Ca.K
InChIKeyRDVAVHBQTGGJMV-UHFFFAOYSA-N
XLogP-1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.99
LogP ≤ 5-1.14
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 CID 172803282?
The IUPAC name of CID 172803282 (CID 172803282) is not available.
What is the SMILES notation for CID 172803282?
The canonical SMILES for CID 172803282 is [B].[Ca].[K].
What is the InChIKey of CID 172803282?
The InChIKey is RDVAVHBQTGGJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ca.K.
What are the key properties of CID 172803282?
CID 172803282 has a molecular weight of 89.99 g/mol, XLogP of -1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172803282 is sourced from PubChem (CID 172803282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).