CID 160861299

H8BCaO4 — CID 160861299

IUPAC—
SMILESO.O.O.O.[B].[Ca]
InChIInChI=1S/B.Ca.4H2O/h;;4*1H2
InChIKeySKNGOBURTNNOPM-UHFFFAOYSA-N
MW122.95 g/mol
LogP-4.06
Rot. Bonds

About CID 160861299

CID 160861299 (PubChem CID 160861299) has the molecular formula H8BCaO4 and a molecular weight of 122.95 g/mol.

Molecular Properties

Compound NameCID 160861299
PubChem CID160861299
Molecular FormulaH8BCaO4
Molecular Weight122.95 g/mol
Exact Mass123.01
IUPAC Name—
SMILESO.O.O.O.[B].[Ca]
InChIInChI=1S/B.Ca.4H2O/h;;4*1H2
InChIKeySKNGOBURTNNOPM-UHFFFAOYSA-N
XLogP-4.06
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.95
LogP ≤ 5-4.06
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 160861299?
The IUPAC name of CID 160861299 (CID 160861299) is not available.
What is the SMILES notation for CID 160861299?
The canonical SMILES for CID 160861299 is O.O.O.O.[B].[Ca].
What is the InChIKey of CID 160861299?
The InChIKey is SKNGOBURTNNOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ca.4H2O/h;;4*1H2.
What are the key properties of CID 160861299?
CID 160861299 has a molecular weight of 122.95 g/mol, XLogP of -4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160861299 is sourced from PubChem (CID 160861299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).