CID 23698711

C6H5BLi — CID 23698711

IUPAC—
SMILES[B-]c1ccccc1.[Li+]
InChIInChI=1S/C6H5B.Li/c7-6-4-2-1-3-5-6;/h1-5H;/q-1;+1
InChIKeySHQQZBTVYFUAHG-UHFFFAOYSA-N
MW94.86 g/mol
LogP-2.52
Rot. Bonds

About CID 23698711

CID 23698711 (PubChem CID 23698711) has the molecular formula C6H5BLi and a molecular weight of 94.86 g/mol.

Molecular Properties

Compound NameCID 23698711
PubChem CID23698711
Molecular FormulaC6H5BLi
Molecular Weight94.86 g/mol
Exact Mass95.06
IUPAC Name—
SMILES[B-]c1ccccc1.[Li+]
InChIInChI=1S/C6H5B.Li/c7-6-4-2-1-3-5-6;/h1-5H;/q-1;+1
InChIKeySHQQZBTVYFUAHG-UHFFFAOYSA-N
XLogP-2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.86
LogP ≤ 5-2.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 23698711 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 23698711?
The IUPAC name of CID 23698711 (CID 23698711) is not available.
What is the SMILES notation for CID 23698711?
The canonical SMILES for CID 23698711 is [B-]c1ccccc1.[Li+].
What is the InChIKey of CID 23698711?
The InChIKey is SHQQZBTVYFUAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5B.Li/c7-6-4-2-1-3-5-6;/h1-5H;/q-1;+1.
What are the key properties of CID 23698711?
CID 23698711 has a molecular weight of 94.86 g/mol, XLogP of -2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23698711 is sourced from PubChem (CID 23698711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).