CID 58805500

C6H6B — CID 58805500

IUPAC—
SMILES[BH]c1ccccc1
InChIInChI=1S/C6H6B/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKeyHPNIOZXXMLIYFU-UHFFFAOYSA-N
MW88.93 g/mol
LogP0.21
Rot. Bonds

About CID 58805500

CID 58805500 (PubChem CID 58805500) has the molecular formula C6H6B and a molecular weight of 88.93 g/mol.

Molecular Properties

Compound NameCID 58805500
PubChem CID58805500
Molecular FormulaC6H6B
Molecular Weight88.93 g/mol
Exact Mass89.06
IUPAC Name—
SMILES[BH]c1ccccc1
InChIInChI=1S/C6H6B/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKeyHPNIOZXXMLIYFU-UHFFFAOYSA-N
XLogP0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.93
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 58805500 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 58805500?
The IUPAC name of CID 58805500 (CID 58805500) is not available.
What is the SMILES notation for CID 58805500?
The canonical SMILES for CID 58805500 is [BH]c1ccccc1.
What is the InChIKey of CID 58805500?
The InChIKey is HPNIOZXXMLIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6B/c7-6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of CID 58805500?
CID 58805500 has a molecular weight of 88.93 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58805500 is sourced from PubChem (CID 58805500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).