CID 173278995

BClKO4 — CID 173278995

IUPAC—
SMILES[B].[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/B.ClHO4.K/c;2-1(3,4)5;/h;(H,2,3,4,5);/q;;+1/p-1
InChIKeyMAIGSXGKQWJLKG-UHFFFAOYSA-M
MW149.36 g/mol
LogP-8.13
Rot. Bonds

About CID 173278995

CID 173278995 (PubChem CID 173278995) has the molecular formula BClKO4 and a molecular weight of 149.36 g/mol.

Molecular Properties

Compound NameCID 173278995
PubChem CID173278995
Molecular FormulaBClKO4
Molecular Weight149.36 g/mol
Exact Mass148.92
IUPAC Name—
SMILES[B].[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/B.ClHO4.K/c;2-1(3,4)5;/h;(H,2,3,4,5);/q;;+1/p-1
InChIKeyMAIGSXGKQWJLKG-UHFFFAOYSA-M
XLogP-8.13
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.36
LogP ≤ 5-8.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 173278995?
The IUPAC name of CID 173278995 (CID 173278995) is not available.
What is the SMILES notation for CID 173278995?
The canonical SMILES for CID 173278995 is [B].[K+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of CID 173278995?
The InChIKey is MAIGSXGKQWJLKG-UHFFFAOYSA-M. The full InChI is InChI=1S/B.ClHO4.K/c;2-1(3,4)5;/h;(H,2,3,4,5);/q;;+1/p-1.
What are the key properties of CID 173278995?
CID 173278995 has a molecular weight of 149.36 g/mol, XLogP of -8.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173278995 is sourced from PubChem (CID 173278995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).